Y031-9189 Screening compound: methyl 4-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate

Y031-9189 Screening compound: methyl 4-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate
Y031-9189 Screening compound: methyl 4-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9189
methyl 4-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate

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

Y031-9189

Molecular Formula

C19H15ClN2O4 (C19 H15 ClN2 O4)

Compound Name

methyl 4-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate

IUPAC name

methyl 4-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-amido]benzoate

SMILES

Cc1c(C(Nc(cc2)ccc2C(OC)=O)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C19H15ClN2O4/c1-11-16(17(22-26-11)14-5-3-4-6-15(14)20)18(23)21-13-9-7-12(8-10-13)19(24)25-2/h3-10H,1-2H3,(H,21,23)

InChI Key

YIPSMJVNMLAMOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.65

Polar Surface Area

66.464

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

References: we are preparing a list of scientific research reports with Y031-9189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9189?
Check Price and Availability of Y031-9189, 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 Y031-9189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9189
  • 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 Y031-9189 available by request