C226-3182 Screening compound: N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C226-3182 Screening compound: N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
C226-3182 Screening compound: N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3182
N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(2-methylpropyl)-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

C226-3182

Molecular Formula

C20H22Cl2N4O2 (C20 H22 Cl2 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cc1cc(C(Nc2c(C)n(Cc(cc3)cc(Cl)c3Cl)nc2C)=O)no1

InChI

InChI=1S/C20H22Cl2N4O2/c1-11(2)7-15-9-18(25-28-15)20(27)23-19-12(3)24-26(13(19)4)10-14-5-6-16(21)17(22)8-14/h5-6,8-9,11H,7,10H2,1-4H3,(H,23,27)

InChI Key

XBXPQKCYCQFVCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

4.535

Water Solubility, LogSw

-4.47

Polar Surface Area

57.193

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C226-3182 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-3182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3182?
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What is the minimum amount of C226-3182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3182
  • 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 C226-3182 available by request