G544-1335 Screening compound: N~5~-cyclohexyl-6-(3-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-1335 Screening compound: N~5~-cyclohexyl-6-(3-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-1335 Screening compound: N~5~-cyclohexyl-6-(3-fluorophenyl)-3-methyl-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 G544-1335
N~5~-cyclohexyl-6-(3-fluorophenyl)-3-methyl-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

G544-1335

Molecular Formula

C29H30FN5O (C29 H30 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(CN(C1c2cccc(F)c2)C(NC2CCCCC2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C29H30FN5O/c1-20-25-19-34(29(36)31-23-12-4-2-5-13-23)27(21-10-8-11-22(30)18-21)26-16-9-17-33(26)28(25)35(32-20)24-14-6-3-7-15-24/h3,6-11,14-18,23,27H,2,4-5,12-13,19H2,1H3,(H,31,36)/t27-/m1/s1

InChI Key

AJZBMAAYUDSOKN-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD15018423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

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

6.489

Distribution Coefficient, logD

6.489

Water Solubility, LogSw

-5.59

Polar Surface Area

42.043

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

G544-1335 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 G544-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-1335?
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What is the minimum amount of G544-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-1335
  • 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 G544-1335 available by request