8012-8268 Screening compound: ethyl 2,5,6-trichloro-4-[(3-fluorophenyl)amino]pyridine-3-carboxylate

8012-8268 Screening compound: ethyl 2,5,6-trichloro-4-[(3-fluorophenyl)amino]pyridine-3-carboxylate
8012-8268 Screening compound: ethyl 2,5,6-trichloro-4-[(3-fluorophenyl)amino]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8268
ethyl 2,5,6-trichloro-4-[(3-fluorophenyl)amino]pyridine-3-carboxylate

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

8012-8268

Molecular Formula

C14H10Cl3FN2O2 (C14 H10 Cl3 FN2 O2)

Compound Name

ethyl 2,5,6-trichloro-4-[(3-fluorophenyl)amino]pyridine-3-carboxylate

IUPAC name

ethyl 256-trichloro-4-[(3-fluorophenyl)amino]pyridine-3-carboxylate

SMILES

CCOC(c(c(Nc1cc(F)ccc1)c(c(Cl)n1)Cl)c1Cl)=O

InChI

InChI=1S/C14H10Cl3FN2O2/c1-2-22-14(21)9-11(10(15)13(17)20-12(9)16)19-8-5-3-4-7(18)6-8/h3-6H,2H2,1H3,(H,19,20)

InChI Key

YFPPBUZUHYHQJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.91

Polar Surface Area

38.399

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8012-8268 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-8268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8268?
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What is the minimum amount of 8012-8268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8268
  • 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 8012-8268 available by request