Y031-9205 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholinoethyl)-4-isoxazolecarboxamide

Y031-9205 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholinoethyl)-4-isoxazolecarboxamide
Y031-9205 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholinoethyl)-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9205
3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholinoethyl)-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

Y031-9205

Molecular Formula

C17H19Cl2N3O3 (C17 H19 Cl2 N3 O3)

Compound Name

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

IUPAC name

3-(26-dichlorophenyl)-5-methyl-N-[2-(morpholin-4-yl)ethyl]-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCCN2CCOCC2)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C17H19Cl2N3O3/c1-11-14(17(23)20-5-6-22-7-9-24-10-8-22)16(21-25-11)15-12(18)3-2-4-13(15)19/h2-4H,5-10H2,1H3,(H,20,23)

InChI Key

AVZINKUKCGWUBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-2.76

Polar Surface Area

58.344

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

Y031-9205 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with Y031-9205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9205?
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What is the minimum amount of Y031-9205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9205
  • 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 Y031-9205 available by request