C226-1938 Screening compound: N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

C226-1938 Screening compound: N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
C226-1938 Screening compound: N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1938
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-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

C226-1938

Molecular Formula

C21H20N4O2S (C21 H20 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc1c(C)cccc1)nc1C)c1NC(c1noc(-c2cccs2)c1)=O

InChI

InChI=1S/C21H20N4O2S/c1-13-7-4-5-8-16(13)12-25-15(3)20(14(2)23-25)22-21(26)17-11-18(27-24-17)19-9-6-10-28-19/h4-11H,12H2,1-3H3,(H,22,26)

InChI Key

FVKPWPFAGBBOKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

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

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.95

Polar Surface Area

58.769

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C226-1938 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C226-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1938?
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What is the minimum amount of C226-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1938
  • 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 C226-1938 available by request