C987-0031 Screening compound: N-[(4-chlorophenyl)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C987-0031 Screening compound: N-[(4-chlorophenyl)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C987-0031 Screening compound: N-[(4-chlorophenyl)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C987-0031
N-[(4-chlorophenyl)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

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

C987-0031

Molecular Formula

C26H27ClN4O (C26 H27 ClN4 O)

Compound Name

N-[(4-chlorophenyl)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

Cc(c1c(C)c(CCC(NCc(cc2)ccc2Cl)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C26H27ClN4O/c1-16-5-11-22(12-6-16)31-26-25(19(4)30-31)17(2)23(18(3)29-26)13-14-24(32)28-15-20-7-9-21(27)10-8-20/h5-12H,13-15H2,1-4H3,(H,28,32)

InChI Key

HKCFZHCMBZFTCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.250

Water Solubility, LogSw

-5.78

Polar Surface Area

48.411

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C987-0031 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C987-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0031?
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What is the minimum amount of C987-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0031
  • 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 C987-0031 available by request