C561-2007 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C561-2007 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C561-2007 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2007
N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

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

C561-2007

Molecular Formula

C32H30N6O (C32 H30 N6 O)

Compound Name

N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-[4-(1H-13-benzodiazol-2-yl)phenyl]-3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

Cc(c1c(C)c(CCC(Nc(cc2)ccc2-c2nc(cccc3)c3[nH]2)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C32H30N6O/c1-19-9-15-25(16-10-19)38-32-30(22(4)37-38)20(2)26(21(3)33-32)17-18-29(39)34-24-13-11-23(12-14-24)31-35-27-7-5-6-8-28(27)36-31/h5-16H,17-18H2,1-4H3,(H,34,39)(H,35,36)

InChI Key

COFFIUHFFJIIQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.288

Distribution Coefficient, logD

6.286

Water Solubility, LogSw

-5.95

Polar Surface Area

66.108

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C561-2007 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C561-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2007?
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What is the minimum amount of C561-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2007
  • 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 C561-2007 available by request