G544-0524 Screening compound: N~5~-(3-methoxyphenyl)-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0524 Screening compound: N~5~-(3-methoxyphenyl)-3-methyl-6-[4-(methylsulfanyl)phenyl]-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0524 Screening compound: N~5~-(3-methoxyphenyl)-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 G544-0524
N~5~-(3-methoxyphenyl)-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

G544-0524

Molecular Formula

C31H29N5O2S (C31 H29 N5 O2 S)

Compound Name

N~5~-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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(Nc2cc(OC)ccc2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C31H29N5O2S/c1-21-27-20-35(31(37)32-23-9-7-12-25(19-23)38-2)29(22-14-16-26(39-3)17-15-22)28-13-8-18-34(28)30(27)36(33-21)24-10-5-4-6-11-24/h4-19,29H,20H2,1-3H3,(H,32,37)/t29-/m1/s1

InChI Key

XQESLYLNPRWFCT-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD15018006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.828

Distribution Coefficient, logD

6.828

Water Solubility, LogSw

-5.71

Polar Surface Area

48.539

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

G544-0524 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 G544-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0524?
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What is the minimum amount of G544-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0524
  • 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 G544-0524 available by request