C651-0268 Screening compound: N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0268 Screening compound: N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0268 Screening compound: N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0268
N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-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

C651-0268

Molecular Formula

C15H11ClFN3O2 (C15 H11 ClFN3 O2)

Compound Name

N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

O=C(C(C1)ON=C1c(cc1)ccc1F)Nc1cccnc1Cl

InChI

InChI=1S/C15H11ClFN3O2/c16-14-11(2-1-7-18-14)19-15(21)13-8-12(20-22-13)9-3-5-10(17)6-4-9/h1-7,13H,8H2,(H,19,21)/t13-/m0/s1

InChI Key

YSQYHCBHDRUTBL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD08106320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-3.53

Polar Surface Area

54.911

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

C651-0268 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C651-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0268?
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What is the minimum amount of C651-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0268
  • 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 C651-0268 available by request