C226-1094 Screening compound: N-(2-chloropyridin-3-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C226-1094 Screening compound: N-(2-chloropyridin-3-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
C226-1094 Screening compound: N-(2-chloropyridin-3-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1094
N-(2-chloropyridin-3-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-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

C226-1094

Molecular Formula

C17H14ClN3O4 (C17 H14 ClN3 O4)

Compound Name

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

IUPAC name

N-(2-chloropyridin-3-yl)-5-(34-dimethoxyphenyl)-12-oxazole-3-carboxamide

SMILES

COc(ccc(-c1cc(C(Nc2cccnc2Cl)=O)no1)c1)c1OC

InChI

InChI=1S/C17H14ClN3O4/c1-23-13-6-5-10(8-15(13)24-2)14-9-12(21-25-14)17(22)20-11-4-3-7-19-16(11)18/h3-9H,1-2H3,(H,20,22)

InChI Key

JHUARAHIVKZCEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.63

Polar Surface Area

69.113

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C226-1094 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1094?
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What is the minimum amount of C226-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1094
  • 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 C226-1094 available by request