G544-1096 Screening compound: N~5~-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-1096 Screening compound: N~5~-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-1096 Screening compound: N~5~-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-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 G544-1096
N~5~-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-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

G544-1096

Molecular Formula

C30H25F2N5O2 (C30 H25 F2 N5 O2)

Compound Name

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

IUPAC name

N-(24-difluorophenyl)-9-(4-methoxyphenyl)-5-methyl-3-phenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

Cc(c(CN(C1c(cc2)ccc2OC)C(Nc(ccc(F)c2)c2F)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C30H25F2N5O2/c1-19-24-18-36(30(38)33-26-15-12-21(31)17-25(26)32)28(20-10-13-23(39-2)14-11-20)27-9-6-16-35(27)29(24)37(34-19)22-7-4-3-5-8-22/h3-17,28H,18H2,1-2H3,(H,33,38)/t28-/m1/s1

InChI Key

LNLAWTIXHVRHTC-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD27143579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.337

Distribution Coefficient, logD

6.337

Water Solubility, LogSw

-5.51

Polar Surface Area

47.841

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

G544-1096 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G544-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-1096?
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What is the minimum amount of G544-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-1096
  • 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 G544-1096 available by request