Y031-2065 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Y031-2065 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
Y031-2065 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2065
3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

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

Y031-2065

Molecular Formula

C13H13ClN2O2S (C13 H13 ClN2 O2 S)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

Cc1cc(NC(CCSc(cc2)ccc2Cl)=O)no1

InChI

InChI=1S/C13H13ClN2O2S/c1-9-8-12(16-18-9)15-13(17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)

InChI Key

ADGHJFLGSYQVSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07067988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.28

Polar Surface Area

44.912

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

Y031-2065 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-2065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2065?
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What is the minimum amount of Y031-2065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2065
  • 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 Y031-2065 available by request