C625-0131 Screening compound: N-(3-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide

C625-0131 Screening compound: N-(3-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
C625-0131 Screening compound: N-(3-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C625-0131
N-(3-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-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

C625-0131

Molecular Formula

C13H11ClN2O3 (C13 H11 ClN2 O3)

Compound Name

N-(3-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide

IUPAC name

N-(3-acetylphenyl)-4-chloro-3-methyl-12-oxazole-5-carboxamide

SMILES

CC(c1cccc(NC(c(onc2C)c2Cl)=O)c1)=O

InChI

InChI=1S/C13H11ClN2O3/c1-7-11(14)12(19-16-7)13(18)15-10-5-3-4-9(6-10)8(2)17/h3-6H,1-2H3,(H,15,18)

InChI Key

WQFWVPFNADXWGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-3.75

Polar Surface Area

59.773

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C625-0131 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 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
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with C625-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C625-0131?
Check Price and Availability of C625-0131, 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 C625-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C625-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C625-0131
  • 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 C625-0131 available by request