Y040-8838 Screening compound: 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

Y040-8838 Screening compound: 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Y040-8838 Screening compound: 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8838
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

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

Y040-8838

Molecular Formula

C13H7Cl2F3N2O2 (C13 H7 Cl2 F3 N2 O2)

Compound Name

2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

IUPAC name

26-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

SMILES

O=C(c(c(Cl)n1)ccc1Cl)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C13H7Cl2F3N2O2/c14-10-6-5-9(11(15)20-10)12(21)19-7-1-3-8(4-2-7)22-13(16,17)18/h1-6H,(H,19,21)

InChI Key

VSBWKACOTNBBIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08743635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.11

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

4.222

Distribution Coefficient, logD

4.199

Water Solubility, LogSw

-4.70

Polar Surface Area

38.386

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

Y040-8838 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-8838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8838?
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What is the minimum amount of Y040-8838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8838
  • 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 Y040-8838 available by request