5197-0114 Screening compound: 3-methyl-6-(4-methylphenyl)-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

5197-0114 Screening compound: 3-methyl-6-(4-methylphenyl)-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
5197-0114 Screening compound: 3-methyl-6-(4-methylphenyl)-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5197-0114
3-methyl-6-(4-methylphenyl)-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

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

5197-0114

Molecular Formula

C21H16F3N3 (C21 H16 F3 N3)

Compound Name

3-methyl-6-(4-methylphenyl)-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

IUPAC name

3-methyl-6-(4-methylphenyl)-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridine

SMILES

Cc(c1c(C(F)(F)F)cc(-c2ccc(C)cc2)nc11)nn1-c1ccccc1

InChI

InChI=1S/C21H16F3N3/c1-13-8-10-15(11-9-13)18-12-17(21(22,23)24)19-14(2)26-27(20(19)25-18)16-6-4-3-5-7-16/h3-12H,1-2H3

InChI Key

IJUPJLQHANOUJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.072

Distribution Coefficient, logD

6.072

Water Solubility, LogSw

-6.22

Polar Surface Area

23.363

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5197-0114 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5197-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5197-0114?
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What is the minimum amount of 5197-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5197-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5197-0114
  • 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 5197-0114 available by request