8012-9848 Screening compound: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(pyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide

8012-9848 Screening compound: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(pyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
8012-9848 Screening compound: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(pyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9848
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(pyridin-4-yl)methyl]-1,2-oxazole-4-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

8012-9848

Molecular Formula

C17H13ClFN3O2 (C17 H13 ClFN3 O2)

Compound Name

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(pyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(pyridin-4-yl)methyl]-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCc2ccncc2)=O)c(-c(c(F)ccc2)c2Cl)no1

InChI

InChI=1S/C17H13ClFN3O2/c1-10-14(17(23)21-9-11-5-7-20-8-6-11)16(22-24-10)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,21,23)

InChI Key

LCBZKYSIPJPASJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.971

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-2.98

Polar Surface Area

56.040

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8012-9848 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Proline Kinase Library (2105 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-9848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9848?
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What is the minimum amount of 8012-9848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9848
  • 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 8012-9848 available by request