C561-2781 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-phenylpiperazine

C561-2781 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-phenylpiperazine
C561-2781 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2781
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-phenylpiperazine

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

C561-2781

Molecular Formula

C25H24ClN5O (C25 H24 ClN5 O)

Compound Name

1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-phenylpiperazine

IUPAC name

1-[1-(2-chlorophenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carbonyl]-4-phenylpiperazine

SMILES

Cc(c(c1nc(C)c2)c2C(N(CC2)CCN2c2ccccc2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C25H24ClN5O/c1-17-16-20(25(32)30-14-12-29(13-15-30)19-8-4-3-5-9-19)23-18(2)28-31(24(23)27-17)22-11-7-6-10-21(22)26/h3-11,16H,12-15H2,1-2H3

InChI Key

GNTFEBBEJHZBHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.39

Polar Surface Area

43.048

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C561-2781 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C561-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2781?
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What is the minimum amount of C561-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2781
  • 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 C561-2781 available by request