E568-0001 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E568-0001 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E568-0001 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E568-0001
N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-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

E568-0001

Molecular Formula

C29H24N6O (C29 H24 N6 O)

Compound Name

N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-[4-(1H-13-benzodiazol-2-yl)phenyl]-36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(Nc(cc2)ccc2-c2nc(cccc3)c3[nH]2)=O)nn1-c1ccc(C)cc1

InChI

InChI=1S/C29H24N6O/c1-17-8-14-22(15-9-17)35-28-26(19(3)34-35)23(16-18(2)30-28)29(36)31-21-12-10-20(11-13-21)27-32-24-6-4-5-7-25(24)33-27/h4-16H,1-3H3,(H,31,36)(H,32,33)

InChI Key

UOPCXQKFRKVCKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

5.645

Water Solubility, LogSw

-5.73

Polar Surface Area

65.551

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

E568-0001 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E568-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E568-0001?
Check Price and Availability of E568-0001, 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 E568-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E568-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E568-0001
  • 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 E568-0001 available by request