Y031-9201 Screening compound: dimethyl 5-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)isophthalate

Y031-9201 Screening compound: dimethyl 5-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)isophthalate
Y031-9201 Screening compound: dimethyl 5-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9201
dimethyl 5-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)isophthalate

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

Y031-9201

Molecular Formula

C21H16Cl2N2O6 (C21 H16 Cl2 N2 O6)

Compound Name

dimethyl 5-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)isophthalate

IUPAC name

13-dimethyl 5-[3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-amido]benzene-13-dicarboxylate

SMILES

Cc1c(C(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C21H16Cl2N2O6/c1-10-16(18(25-31-10)17-14(22)5-4-6-15(17)23)19(26)24-13-8-11(20(27)29-2)7-12(9-13)21(28)30-3/h4-9H,1-3H3,(H,24,26)

InChI Key

YDMJFXMOZPBODO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

4.641

Water Solubility, LogSw

-5.07

Polar Surface Area

87.638

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with Y031-9201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9201?
Check Price and Availability of Y031-9201, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-9201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9201
  • 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 Y031-9201 available by request