G544-0721 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0721 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0721 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-3-methyl-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 G544-0721
N~5~-(1,3-benzodioxol-5-yl)-3-methyl-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

G544-0721

Molecular Formula

C30H25N5O3 (C30 H25 N5 O3)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-methyl-39-diphenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

Cc(c(CN(C1c2ccccc2)C(Nc(cc2)cc3c2OCO3)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C30H25N5O3/c1-20-24-18-34(30(36)31-22-14-15-26-27(17-22)38-19-37-26)28(21-9-4-2-5-10-21)25-13-8-16-33(25)29(24)35(32-20)23-11-6-3-7-12-23/h2-17,28H,18-19H2,1H3,(H,31,36)/t28-/m1/s1

InChI Key

YXNOGNGXGJOYAY-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD27143525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.880

Distribution Coefficient, logD

5.880

Water Solubility, LogSw

-5.51

Polar Surface Area

58.111

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

G544-0721 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

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

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G544-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0721?
Check Price and Availability of G544-0721, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G544-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0721
  • 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 G544-0721 available by request