Y031-8014 Screening compound: dimethyl 2-[(4-chlorobenzoyl)amino]terephthalate

Y031-8014 Screening compound: dimethyl 2-[(4-chlorobenzoyl)amino]terephthalate
Y031-8014 Screening compound: dimethyl 2-[(4-chlorobenzoyl)amino]terephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8014
dimethyl 2-[(4-chlorobenzoyl)amino]terephthalate

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

Y031-8014

Molecular Formula

C17H14ClNO5 (C17 H14 ClNO5)

Compound Name

dimethyl 2-[(4-chlorobenzoyl)amino]terephthalate

IUPAC name

14-dimethyl 2-(4-chlorobenzamido)benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(c(cc2)ccc2Cl)=O)c1C(OC)=O)=O

InChI

InChI=1S/C17H14ClNO5/c1-23-16(21)11-5-8-13(17(22)24-2)14(9-11)19-15(20)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,19,20)

InChI Key

XPISZCQNNFPXKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.629

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-4.10

Polar Surface Area

64.980

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with Y031-8014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8014?
Check Price and Availability of Y031-8014, 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 Y031-8014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8014
  • 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 Y031-8014 available by request