8018-8601 Screening compound: 3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

8018-8601 Screening compound: 3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
8018-8601 Screening compound: 3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8601
3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic 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

8018-8601

Molecular Formula

C11H8ClNO3 (C11 H8 ClNO3)

Compound Name

3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

IUPAC name

3-(4-chlorophenyl)-5-methyl-12-oxazole-4-carboxylic acid

SMILES

Cc1c(C(O)=O)c(-c(cc2)ccc2Cl)no1

InChI

InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)

InChI Key

YFZLFMSGZBNUPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02082272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

-1.331

Water Solubility, LogSw

-2.97

Polar Surface Area

50.607

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8018-8601 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-8601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8601?
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What is the minimum amount of 8018-8601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8601
  • 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 8018-8601 available by request