C987-0113 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C987-0113 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C987-0113 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-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 C987-0113
N-[2-(1H-indol-3-yl)ethyl]-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

C987-0113

Molecular Formula

C29H31N5O (C29 H31 N5 O)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

Cc(c1c(C)c(CCC(NCCc2c[nH]c3c2cccc3)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C29H31N5O/c1-18-9-11-23(12-10-18)34-29-28(21(4)33-34)19(2)24(20(3)32-29)13-14-27(35)30-16-15-22-17-31-26-8-6-5-7-25(22)26/h5-12,17,31H,13-16H2,1-4H3,(H,30,35)

InChI Key

FGICASHCXGHOGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-5.04

Polar Surface Area

58.123

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C987-0113 in Drug Discovery

Included in Screening Libraries

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 C987-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0113?
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What is the minimum amount of C987-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0113
  • 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 C987-0113 available by request