Y042-5017 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[4-(2-pyridyl)-1,3-thiazol-2-yl]acetamide

Y042-5017 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[4-(2-pyridyl)-1,3-thiazol-2-yl]acetamide
Y042-5017 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[4-(2-pyridyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5017
2-(2-chloro-6-fluorophenyl)-N-[4-(2-pyridyl)-1,3-thiazol-2-yl]acetamide

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

Y042-5017

Molecular Formula

C16H11ClFN3OS (C16 H11 ClFN3 OS)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-[4-(2-pyridyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-2-yl)-13-thiazol-2-yl]acetamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)Nc1nc(-c2ncccc2)cs1

InChI

InChI=1S/C16H11ClFN3OS/c17-11-4-3-5-12(18)10(11)8-15(22)21-16-20-14(9-23-16)13-6-1-2-7-19-13/h1-7,9H,8H2,(H,20,21,22)

InChI Key

TWCJLHWEKZGKHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04489658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.8

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

3.927

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-4.33

Polar Surface Area

41.939

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

Y042-5017 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y042-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5017?
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What is the minimum amount of Y042-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5017
  • 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 Y042-5017 available by request