Y031-9165 Screening compound: N-[4-(benzyloxy)phenyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

Y031-9165 Screening compound: N-[4-(benzyloxy)phenyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
Y031-9165 Screening compound: N-[4-(benzyloxy)phenyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9165
N-[4-(benzyloxy)phenyl]-3-(2-chlorophenyl)-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

Y031-9165

Molecular Formula

C24H19ClN2O3 (C24 H19 ClN2 O3)

Compound Name

N-[4-(benzyloxy)phenyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

IUPAC name

N-[4-(benzyloxy)phenyl]-3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2OCc2ccccc2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C24H19ClN2O3/c1-16-22(23(27-30-16)20-9-5-6-10-21(20)25)24(28)26-18-11-13-19(14-12-18)29-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,28)

InChI Key

FIOQNDVAQPNWOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.78

Polar Surface Area

52.517

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

Y031-9165 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-9165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9165?
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What is the minimum amount of Y031-9165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9165
  • 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 Y031-9165 available by request