G544-0532 Screening compound: N~5~-(3,4-dimethylphenyl)-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0532 Screening compound: N~5~-(3,4-dimethylphenyl)-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0532 Screening compound: N~5~-(3,4-dimethylphenyl)-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G544-0532
N~5~-(3,4-dimethylphenyl)-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G544-0532

Molecular Formula

C32H31N5OS (C32 H31 N5 OS)

Compound Name

N~5~-(3,4-dimethylphenyl)-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-(34-dimethylphenyl)-5-methyl-9-[4-(methylsulfanyl)phenyl]-3-phenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

Cc(c(CN(C1c(cc2)ccc2SC)C(Nc2cc(C)c(C)cc2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C32H31N5OS/c1-21-12-15-25(19-22(21)2)33-32(38)36-20-28-23(3)34-37(26-9-6-5-7-10-26)31(28)35-18-8-11-29(35)30(36)24-13-16-27(39-4)17-14-24/h5-19,30H,20H2,1-4H3,(H,33,38)/t30-/m1/s1

InChI Key

HUILMXBUTHGSOD-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD15018013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.749

Distribution Coefficient, logD

7.749

Water Solubility, LogSw

-5.63

Polar Surface Area

40.995

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

G544-0532 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G544-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0532?
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What is the minimum amount of G544-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0532
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G544-0532 available by request