C999-0172 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2-phenylethyl)propanamide

C999-0172 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2-phenylethyl)propanamide
C999-0172 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0172
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2-phenylethyl)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

C999-0172

Molecular Formula

C28H32N4O (C28 H32 N4 O)

Compound Name

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

IUPAC name

3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]-N-(2-phenylethyl)propanamide

SMILES

Cc(c1c(C)c(CCC(NCCc2ccccc2)=O)c(C)nc11)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C28H32N4O/c1-18-11-12-24(17-19(18)2)32-28-27(22(5)31-32)20(3)25(21(4)30-28)13-14-26(33)29-16-15-23-9-7-6-8-10-23/h6-12,17H,13-16H2,1-5H3,(H,29,33)

InChI Key

HAIHIOCPFUVFPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.137

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-5.22

Polar Surface Area

48.252

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C999-0172 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 C999-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0172?
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What is the minimum amount of C999-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0172
  • 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 C999-0172 available by request