Y031-0045 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide

Y031-0045 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
Y031-0045 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0045
2-(2-chloro-6-fluorophenyl)-N-(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

Y031-0045

Molecular Formula

C11H8ClFN2OS (C11 H8 ClFN2 OS)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-(13-thiazol-2-yl)acetamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)Nc1nccs1

InChI

InChI=1S/C11H8ClFN2OS/c12-8-2-1-3-9(13)7(8)6-10(16)15-11-14-4-5-17-11/h1-5H,6H2,(H,14,15,16)

InChI Key

ABLGONJGEBEUJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05275495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.45

Polar Surface Area

33.595

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y031-0045 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0045?
Check Price and Availability of Y031-0045, 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 Y031-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0045
  • 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 Y031-0045 available by request