C226-1928 Screening compound: N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

C226-1928 Screening compound: N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
C226-1928 Screening compound: N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1928
N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(thiophen-2-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

C226-1928

Molecular Formula

C20H16Cl2N4O2S (C20 H16 Cl2 N4 O2 S)

Compound Name

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

IUPAC name

N-{1-[(34-dichlorophenyl)methyl]-35-dimethyl-1H-pyrazol-4-yl}-5-(thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

Cc(n(Cc(cc1)cc(Cl)c1Cl)nc1C)c1NC(c1noc(-c2cccs2)c1)=O

InChI

InChI=1S/C20H16Cl2N4O2S/c1-11-19(12(2)26(24-11)10-13-5-6-14(21)15(22)8-13)23-20(27)16-9-17(28-25-16)18-4-3-7-29-18/h3-9H,10H2,1-2H3,(H,23,27)

InChI Key

YAYKVURMHKCMNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.34

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

4.425

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.50

Polar Surface Area

58.769

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C226-1928 in Drug Discovery

Included in Screening Libraries

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

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-1928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1928?
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What is the minimum amount of C226-1928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1928
  • 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 C226-1928 available by request