C226-2383 Screening compound: 5-(3,4-dichlorophenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-1,2-oxazole-3-carboxamide

C226-2383 Screening compound: 5-(3,4-dichlorophenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-1,2-oxazole-3-carboxamide
C226-2383 Screening compound: 5-(3,4-dichlorophenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2383
5-(3,4-dichlorophenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-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

C226-2383

Molecular Formula

C21H16Cl2N4O2 (C21 H16 Cl2 N4 O2)

Compound Name

5-(3,4-dichlorophenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(34-dichlorophenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-12-oxazole-3-carboxamide

SMILES

Cc1ccc(Cn(cc2)nc2NC(c2noc(-c(cc3)cc(Cl)c3Cl)c2)=O)cc1

InChI

InChI=1S/C21H16Cl2N4O2/c1-13-2-4-14(5-3-13)12-27-9-8-20(25-27)24-21(28)18-11-19(29-26-18)15-6-7-16(22)17(23)10-15/h2-11H,12H2,1H3,(H,24,25,28)

InChI Key

KFCAJULIVHXULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.479

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-6.03

Polar Surface Area

59.821

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C226-2383 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C226-2383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2383?
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What is the minimum amount of C226-2383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2383
  • 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 C226-2383 available by request