G544-0652 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-6-[4-(dimethylamino)phenyl]-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0652 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-6-[4-(dimethylamino)phenyl]-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0652 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-6-[4-(dimethylamino)phenyl]-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 G544-0652
N~5~-(1,3-benzodioxol-5-yl)-6-[4-(dimethylamino)phenyl]-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

G544-0652

Molecular Formula

C32H30N6O3 (C32 H30 N6 O3)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-9-[4-(dimethylamino)phenyl]-5-methyl-3-phenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

Cc(c(CN(C1c(cc2)ccc2N(C)C)C(Nc(cc2)cc3c2OCO3)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C32H30N6O3/c1-21-26-19-37(32(39)33-23-13-16-28-29(18-23)41-20-40-28)30(22-11-14-24(15-12-22)35(2)3)27-10-7-17-36(27)31(26)38(34-21)25-8-5-4-6-9-25/h4-18,30H,19-20H2,1-3H3,(H,33,39)/t30-/m1/s1

InChI Key

XRZDFXBSWGLQGI-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD15018058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.965

Distribution Coefficient, logD

5.952

Water Solubility, LogSw

-5.53

Polar Surface Area

60.916

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

G544-0652 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 G544-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0652?
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What is the minimum amount of G544-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0652
  • 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 G544-0652 available by request