8013-2382 Screening compound: 4-{[3-(trifluoromethyl)phenyl]carbamoyl}pyridine-3-carboxylic acid

8013-2382 Screening compound: 4-{[3-(trifluoromethyl)phenyl]carbamoyl}pyridine-3-carboxylic acid
8013-2382 Screening compound: 4-{[3-(trifluoromethyl)phenyl]carbamoyl}pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2382
4-{[3-(trifluoromethyl)phenyl]carbamoyl}pyridine-3-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

8013-2382

Molecular Formula

C14H9F3N2O3 (C14 H9 F3 N2 O3)

Compound Name

4-{[3-(trifluoromethyl)phenyl]carbamoyl}pyridine-3-carboxylic acid

IUPAC name

4-{[3-(trifluoromethyl)phenyl]carbamoyl}pyridine-3-carboxylic acid

SMILES

OC(c(cncc1)c1C(Nc1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C14H9F3N2O3/c15-14(16,17)8-2-1-3-9(6-8)19-12(20)10-4-5-18-7-11(10)13(21)22/h1-7H,(H,19,20)(H,21,22)

InChI Key

QZEHURLOFLEITK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

-1.208

Water Solubility, LogSw

-3.13

Polar Surface Area

61.256

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8013-2382 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8013-2382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2382?
Check Price and Availability of 8013-2382, 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 8013-2382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2382
  • 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 8013-2382 available by request