C561-2702 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2702 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2702 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2702
1-(2-chlorophenyl)-3,6-dimethyl-N-(propan-2-yl)-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

C561-2702

Molecular Formula

C18H19ClN4O (C18 H19 ClN4 O)

Compound Name

1-(2-chlorophenyl)-3,6-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

1-(2-chlorophenyl)-36-dimethyl-N-(propan-2-yl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CC(C)NC(c1c(c(C)nn2-c(cccc3)c3Cl)c2nc(C)c1)=O

InChI

InChI=1S/C18H19ClN4O/c1-10(2)20-18(24)13-9-11(3)21-17-16(13)12(4)22-23(17)15-8-6-5-7-14(15)19/h5-10H,1-4H3,(H,20,24)

InChI Key

AFHFLKDZNNMKRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.83

Polar Surface Area

46.799

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C561-2702 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C561-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2702?
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What is the minimum amount of C561-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2702
  • 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 C561-2702 available by request