C987-0060 Screening compound: N-[(4-methylphenyl)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C987-0060 Screening compound: N-[(4-methylphenyl)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C987-0060 Screening compound: N-[(4-methylphenyl)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 C987-0060
N-[(4-methylphenyl)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

C987-0060

Molecular Formula

C27H30N4O (C27 H30 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c(C)c(CCC(NCc2ccc(C)cc2)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C27H30N4O/c1-17-6-10-22(11-7-17)16-28-25(32)15-14-24-19(3)26-21(5)30-31(27(26)29-20(24)4)23-12-8-18(2)9-13-23/h6-13H,14-16H2,1-5H3,(H,28,32)

InChI Key

PDTDYCSJJVCWQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

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

5.081

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-5.10

Polar Surface Area

48.411

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C987-0060 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 C987-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0060?
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What is the minimum amount of C987-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0060
  • 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 C987-0060 available by request