Y032-0680 Screening compound: [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl](5,6-dimethyl-1H-1,3-benzimidazol-1-yl)methanone

Y032-0680 Screening compound: [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl](5,6-dimethyl-1H-1,3-benzimidazol-1-yl)methanone
Y032-0680 Screening compound: [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl](5,6-dimethyl-1H-1,3-benzimidazol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0680
[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl](5,6-dimethyl-1H-1,3-benzimidazol-1-yl)methanone

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

Y032-0680

Molecular Formula

C20H16ClN3O2 (C20 H16 ClN3 O2)

Compound Name

[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl](5,6-dimethyl-1H-1,3-benzimidazol-1-yl)methanone

IUPAC name

1-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carbonyl]-56-dimethyl-1H-13-benzodiazole

SMILES

Cc1c(C(n2c(cc(C)c(C)c3)c3nc2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C20H16ClN3O2/c1-11-8-16-17(9-12(11)2)24(10-22-16)20(25)18-13(3)26-23-19(18)14-6-4-5-7-15(14)21/h4-10H,1-3H3

InChI Key

ZZRBVIJIEZEWCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02007107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.72

Polar Surface Area

46.038

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y032-0680 in Drug Discovery

Included in Screening Libraries

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 Y032-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0680?
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What is the minimum amount of Y032-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0680
  • 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 Y032-0680 available by request