BGC > Product Search > (S)-3-((2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino)-N-isopropylpyrrolidine-1-carboxamide | 1783816-74-9

Molecular Formula: C23H25ClF3N5O
Molecular Weight: 479.9257096

Molecular Formula: C23H25ClF3N5O
Molecular Weight: 479.9257096

Description :
NVS-PAK1-1 is potent and specific allosteric PAK1 inhibitor (IC50 = 5 nM) with selective over PAK2 and a panel of 442 kinases.

• Molecular Weight :479.93
• Boiling Point :697.8±55.0 ℃ at 760 Torr

Molecular Formula :
C23H25ClF3N5O
Canonical SMILES :
CC(C)NC(=O)N1CCC(C1)NC2=NC3=C(C=CC(=C3)F)N(C4=C2C=C(C=C4)Cl)CC(F)F
InChI :
1S/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/m0/s1
InChIKey :
OINGHOPGNMYCAB-INIZCTEOSA-N
Solubility :
DMSO: ≥125 mg/mL
Storage : Store in a cool and dry place (or refer to the Certificate of Analysis).
Synonyms :
NVS-PAK1-1; NVSPAK11; NVS PAK1 1; (3S)-3-[[8-chloro-11-(2,2-difluoroethyl)-3-fluorobenzo[b][1,4]benzodiazepin-6-yl]amino]-N-propan-2-ylpyrrolidine-1-carboxamide

More details are to be found here

Purity : 98%
Smile code : O=C(N1C[C@@H](NC2=NC3=CC(F)=CC=C3N(CC(F)F)C4=CC=C(Cl)C=C42)CC1)NC(C)C
MDL Number : MFCD30723183
MolFormula : C23H25ClF3N5O
MolWeight : 479.9257
Available in stock : 0.083

More details are to be found here

Smile code:
O=C(N1C[C@@H](NC2=NC3=CC(F)=CC=C3N(CC(F)F)C4=CC=C(Cl)C=C42)CC1)NC(C)C
MDL Number:
MFCD30723183
Purity :
98%
Available in stock:
10.057 g

More details are to be found here