G544-1246 Screening compound: 3-ethyl-6-(3-fluorophenyl)-N~5~-(3-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-1246 Screening compound: 3-ethyl-6-(3-fluorophenyl)-N~5~-(3-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-1246 Screening compound: 3-ethyl-6-(3-fluorophenyl)-N~5~-(3-methylphenyl)-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 G544-1246
3-ethyl-6-(3-fluorophenyl)-N~5~-(3-methylphenyl)-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

G544-1246

Molecular Formula

C31H28FN5O (C31 H28 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(C1c2cccc(F)c2)C(Nc2cc(C)ccc2)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C31H28FN5O/c1-3-27-26-20-36(31(38)33-24-13-7-10-21(2)18-24)29(22-11-8-12-23(32)19-22)28-16-9-17-35(28)30(26)37(34-27)25-14-5-4-6-15-25/h4-19,29H,3,20H2,1-2H3,(H,33,38)/t29-/m1/s1

InChI Key

RDCYDICCOOVJOS-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD15018370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.083

Distribution Coefficient, logD

7.083

Water Solubility, LogSw

-5.66

Polar Surface Area

41.684

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

G544-1246 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 G544-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-1246?
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What is the minimum amount of G544-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-1246
  • 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 G544-1246 available by request