G544-0801 Screening compound: 3-ethyl-N~5~-(2-furylmethyl)-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0801 Screening compound: 3-ethyl-N~5~-(2-furylmethyl)-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0801 Screening compound: 3-ethyl-N~5~-(2-furylmethyl)-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 G544-0801
3-ethyl-N~5~-(2-furylmethyl)-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

G544-0801

Molecular Formula

C29H27N5O2 (C29 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(C1c2ccccc2)C(NCc2ccco2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C29H27N5O2/c1-2-25-24-20-33(29(35)30-19-23-15-10-18-36-23)27(21-11-5-3-6-12-21)26-16-9-17-32(26)28(24)34(31-25)22-13-7-4-8-14-22/h3-18,27H,2,19-20H2,1H3,(H,30,35)/t27-/m1/s1

InChI Key

HXFVNCJBXCESMO-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD15018129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.154

Distribution Coefficient, logD

6.154

Water Solubility, LogSw

-5.55

Polar Surface Area

50.755

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

G544-0801 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G544-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0801?
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What is the minimum amount of G544-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0801
  • 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 G544-0801 available by request