C561-2784 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine

C561-2784 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine
C561-2784 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2784
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine

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

C561-2784

Molecular Formula

C25H30ClN5O (C25 H30 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(c1nc(C)c2)c2C(N(CC2)CCN2C2CCCCC2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C25H30ClN5O/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/h6-7,10-11,16,19H,3-5,8-9,12-15H2,1-2H3

InChI Key

YLVYMCLHBNTYPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.46

Polar Surface Area

42.881

Acid Dissociation Constant (pKa)

27.93

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C561-2784 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C561-2784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2784?
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What is the minimum amount of C561-2784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2784
  • 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 C561-2784 available by request