Y031-9164 Screening compound: 3-(2-chlorophenyl)-N,5-dimethyl-N-phenyl-4-isoxazolecarboxamide

Y031-9164 Screening compound: 3-(2-chlorophenyl)-N,5-dimethyl-N-phenyl-4-isoxazolecarboxamide
Y031-9164 Screening compound: 3-(2-chlorophenyl)-N,5-dimethyl-N-phenyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9164
3-(2-chlorophenyl)-N,5-dimethyl-N-phenyl-4-isoxazolecarboxamide

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

Y031-9164

Molecular Formula

C18H15ClN2O2 (C18 H15 ClN2 O2)

Compound Name

3-(2-chlorophenyl)-N,5-dimethyl-N-phenyl-4-isoxazolecarboxamide

IUPAC name

3-(2-chlorophenyl)-N5-dimethyl-N-phenyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(N(C)c2ccccc2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C18H15ClN2O2/c1-12-16(18(22)21(2)13-8-4-3-5-9-13)17(20-23-12)14-10-6-7-11-15(14)19/h3-11H,1-2H3

InChI Key

JFAINOURDZXQRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.96

Polar Surface Area

37.568

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y031-9164 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 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 Y031-9164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9164?
Check Price and Availability of Y031-9164, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-9164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9164
  • 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 Y031-9164 available by request