Y031-9203 Screening compound: N-cyclohexyl-3-(2,6-dichlorophenyl)-N-ethyl-5-methyl-4-isoxazolecarboxamide

Y031-9203 Screening compound: N-cyclohexyl-3-(2,6-dichlorophenyl)-N-ethyl-5-methyl-4-isoxazolecarboxamide
Y031-9203 Screening compound: N-cyclohexyl-3-(2,6-dichlorophenyl)-N-ethyl-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9203
N-cyclohexyl-3-(2,6-dichlorophenyl)-N-ethyl-5-methyl-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

Y031-9203

Molecular Formula

C19H22Cl2N2O2 (C19 H22 Cl2 N2 O2)

Compound Name

N-cyclohexyl-3-(2,6-dichlorophenyl)-N-ethyl-5-methyl-4-isoxazolecarboxamide

IUPAC name

N-cyclohexyl-3-(26-dichlorophenyl)-N-ethyl-5-methyl-12-oxazole-4-carboxamide

SMILES

CCN(C1CCCCC1)C(c1c(C)onc1-c(c(Cl)ccc1)c1Cl)=O

InChI

InChI=1S/C19H22Cl2N2O2/c1-3-23(13-8-5-4-6-9-13)19(24)16-12(2)25-22-18(16)17-14(20)10-7-11-15(17)21/h7,10-11,13H,3-6,8-9H2,1-2H3

InChI Key

BJMGKMLPESJJCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-4.97

Polar Surface Area

37.379

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

Y031-9203 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-9203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9203?
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What is the minimum amount of Y031-9203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9203
  • 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 Y031-9203 available by request