Y032-1868 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(2-fluorophenyl)piperazino]methanone

Y032-1868 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(2-fluorophenyl)piperazino]methanone
Y032-1868 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(2-fluorophenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1868
[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(2-fluorophenyl)piperazino]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

Y032-1868

Molecular Formula

C21H18Cl2FN3O2 (C21 H18 Cl2 FN3 O2)

Compound Name

[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(2-fluorophenyl)piperazino]methanone

IUPAC name

1-[3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-carbonyl]-4-(2-fluorophenyl)piperazine

SMILES

Cc1c(C(N(CC2)CCN2c(cccc2)c2F)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C21H18Cl2FN3O2/c1-13-18(20(25-29-13)19-14(22)5-4-6-15(19)23)21(28)27-11-9-26(10-12-27)17-8-3-2-7-16(17)24/h2-8H,9-12H2,1H3

InChI Key

YKLCDKIRJCRNOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01567704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.71

Polar Surface Area

41.806

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y032-1868 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 Y032-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1868?
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What is the minimum amount of Y032-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1868
  • 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 Y032-1868 available by request