E540-0682 Screening compound: N-(4-chlorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E540-0682 Screening compound: N-(4-chlorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E540-0682 Screening compound: N-(4-chlorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-0682
N-(4-chlorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-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

E540-0682

Molecular Formula

C23H19ClN4O (C23 H19 ClN4 O)

Compound Name

N-(4-chlorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-(4-chlorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C2CC2)c2)c2C(Nc(cc2)ccc2Cl)=O)nn1-c1ccccc1

InChI

InChI=1S/C23H19ClN4O/c1-14-21-19(23(29)25-17-11-9-16(24)10-12-17)13-20(15-7-8-15)26-22(21)28(27-14)18-5-3-2-4-6-18/h2-6,9-13,15H,7-8H2,1H3,(H,25,29)

InChI Key

ZMWJOFJODNQSSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09471134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.88

Polar Surface Area

46.977

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E540-0682 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E540-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-0682?
Check Price and Availability of E540-0682, 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 E540-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-0682
  • 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 E540-0682 available by request