Y031-9212 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone

Y031-9212 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone
Y031-9212 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9212
[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone

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

Y031-9212

Molecular Formula

C20H16Cl2N2O2 (C20 H16 Cl2 N2 O2)

Compound Name

[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone

IUPAC name

1-[3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-carbonyl]-1234-tetrahydroquinoline

SMILES

Cc1c(C(N(CCC2)c3c2cccc3)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C20H16Cl2N2O2/c1-12-17(19(23-26-12)18-14(21)8-4-9-15(18)22)20(25)24-11-5-7-13-6-2-3-10-16(13)24/h2-4,6,8-10H,5,7,11H2,1H3

InChI Key

SAUNPZCNPGMKFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00098655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.662

Distribution Coefficient, logD

4.662

Water Solubility, LogSw

-4.90

Polar Surface Area

37.511

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y031-9212 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Lipid Metabolism Library (9174 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y031-9212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9212?
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What is the minimum amount of Y031-9212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9212
  • 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 Y031-9212 available by request