G544-0549 Screening compound: N~5~-cyclopentyl-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0549 Screening compound: N~5~-cyclopentyl-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0549 Screening compound: N~5~-cyclopentyl-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 G544-0549
N~5~-cyclopentyl-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

G544-0549

Molecular Formula

C29H31N5OS (C29 H31 N5 OS)

Compound Name

N~5~-cyclopentyl-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-cyclopentyl-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(NC2CCCC2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C29H31N5OS/c1-20-25-19-33(29(35)30-22-9-6-7-10-22)27(21-14-16-24(36-2)17-15-21)26-13-8-18-32(26)28(25)34(31-20)23-11-4-3-5-12-23/h3-5,8,11-18,22,27H,6-7,9-10,19H2,1-2H3,(H,30,35)/t27-/m1/s1

InChI Key

IKUUIPCTWBHSFE-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD15018030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

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

6.667

Distribution Coefficient, logD

6.667

Water Solubility, LogSw

-5.70

Polar Surface Area

42.409

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

G544-0549 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G544-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0549?
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What is the minimum amount of G544-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0549
  • 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 G544-0549 available by request