C202-2853 Screening compound: 3-(3-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C202-2853 Screening compound: 3-(3-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
C202-2853 Screening compound: 3-(3-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2853
3-(3-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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

C202-2853

Molecular Formula

C21H14F3N3O3 (C21 H14 F3 N3 O3)

Compound Name

3-(3-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

IUPAC name

3-(3-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[34-b]pyridine-4-carboxylic acid

SMILES

COc1cccc(-c2n[nH]c3c2c(C(O)=O)cc(-c2ccc(C(F)(F)F)cc2)n3)c1

InChI

InChI=1S/C21H14F3N3O3/c1-30-14-4-2-3-12(9-14)18-17-15(20(28)29)10-16(25-19(17)27-26-18)11-5-7-13(8-6-11)21(22,23)24/h2-10H,1H3,(H,28,29)(H,25,26,27)

InChI Key

LFALVOPCIFCPBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.652

Distribution Coefficient, logD

0.817

Water Solubility, LogSw

-5.71

Polar Surface Area

68.836

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C202-2853 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Proteases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C202-2853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2853?
Check Price and Availability of C202-2853, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-2853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2853
  • 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 C202-2853 available by request