G544-0684 Screening compound: N~5~-(2,5-dimethylphenyl)-3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0684 Screening compound: N~5~-(2,5-dimethylphenyl)-3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0684 Screening compound: N~5~-(2,5-dimethylphenyl)-3-methyl-1,6-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 G544-0684
N~5~-(2,5-dimethylphenyl)-3-methyl-1,6-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

G544-0684

Molecular Formula

C31H29N5O (C31 H29 N5 O)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-5-methyl-39-diphenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

Cc(c(CN(C1c2ccccc2)C(Nc2c(C)ccc(C)c2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

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

InChI Key

HECSBJWXWLQUJV-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD15018071

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

6.484

Water Solubility, LogSw

-5.55

Polar Surface Area

40.298

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

G544-0684 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 G544-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0684?
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What is the minimum amount of G544-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0684
  • 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 G544-0684 available by request