2047-9678 Screening compound: 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}acetic acid

2047-9678 Screening compound: 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}acetic acid
2047-9678 Screening compound: 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9678
2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}acetic acid

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

2047-9678

Molecular Formula

C13H11ClN2O4 (C13 H11 ClN2 O4)

Compound Name

2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}acetic acid

IUPAC name

2-{[3-(2-chlorophenyl)-5-methyl-12-oxazol-4-yl]formamido}acetic acid

SMILES

Cc1c(C(NCC(O)=O)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C13H11ClN2O4/c1-7-11(13(19)15-6-10(17)18)12(16-20-7)8-4-2-3-5-9(8)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)

InChI Key

NDCUMIWQWHIBAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00020812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.796

Distribution Coefficient, logD

-3.142

Water Solubility, LogSw

-2.62

Polar Surface Area

75.267

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2047-9678 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2047-9678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9678?
Check Price and Availability of 2047-9678, 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 2047-9678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9678
  • 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 2047-9678 available by request