G544-0962 Screening compound: 3-ethyl-6-(4-methylphenyl)-N~5~,1-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0962 Screening compound: 3-ethyl-6-(4-methylphenyl)-N~5~,1-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0962 Screening compound: 3-ethyl-6-(4-methylphenyl)-N~5~,1-diphenyl-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 G544-0962
3-ethyl-6-(4-methylphenyl)-N~5~,1-diphenyl-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

G544-0962

Molecular Formula

C31H29N5O (C31 H29 N5 O)

Compound Name

3-ethyl-6-(4-methylphenyl)-N~5~,1-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

5-ethyl-9-(4-methylphenyl)-N3-diphenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

CCc(c(CN(C1c2ccc(C)cc2)C(Nc2ccccc2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C31H29N5O/c1-3-27-26-21-35(31(37)32-24-11-6-4-7-12-24)29(23-18-16-22(2)17-19-23)28-15-10-20-34(28)30(26)36(33-27)25-13-8-5-9-14-25/h4-20,29H,3,21H2,1-2H3,(H,32,37)/t29-/m1/s1

InChI Key

YRYNHRWOVBZLAX-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD15018207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.868

Distribution Coefficient, logD

6.868

Water Solubility, LogSw

-5.71

Polar Surface Area

41.684

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

G544-0962 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 G544-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0962?
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What is the minimum amount of G544-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0962
  • 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 G544-0962 available by request