C226-1469 Screening compound: 5-(3-chlorophenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide

C226-1469 Screening compound: 5-(3-chlorophenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
C226-1469 Screening compound: 5-(3-chlorophenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1469
5-(3-chlorophenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-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

C226-1469

Molecular Formula

C21H17ClN4O2 (C21 H17 ClN4 O2)

Compound Name

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

IUPAC name

5-(3-chlorophenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-12-oxazole-3-carboxamide

SMILES

Cc1c(Cn2ncc(NC(c3noc(-c4cccc(Cl)c4)c3)=O)c2)cccc1

InChI

InChI=1S/C21H17ClN4O2/c1-14-5-2-3-6-16(14)12-26-13-18(11-23-26)24-21(27)19-10-20(28-25-19)15-7-4-8-17(22)9-15/h2-11,13H,12H2,1H3,(H,24,27)

InChI Key

YQGVFKDAYYSNRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

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

4.926

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.92

Polar Surface Area

59.370

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with C226-1469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1469?
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What is the minimum amount of C226-1469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1469
  • 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 C226-1469 available by request