Y031-9195 Screening compound: N~4~-(3-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide

Y031-9195 Screening compound: N~4~-(3-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
Y031-9195 Screening compound: N~4~-(3-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9195
N~4~-(3-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-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

Y031-9195

Molecular Formula

C18H13Cl3N2O2 (C18 H13 Cl3 N2 O2)

Compound Name

N~4~-(3-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide

IUPAC name

n/a

SMILES

Cc1c(C(Nc2c(C)c(Cl)ccc2)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C18H13Cl3N2O2/c1-9-11(19)5-4-8-14(9)22-18(24)15-10(2)25-23-17(15)16-12(20)6-3-7-13(16)21/h3-8H,1-2H3,(H,22,24)

InChI Key

WWIYMLMQHXQBLO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

5.072

Water Solubility, LogSw

-5.85

Polar Surface Area

44.592

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with Y031-9195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9195?
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What is the minimum amount of Y031-9195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9195
  • 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 Y031-9195 available by request