Y031-9536 Screening compound: ethyl 4-[(2,2-dichloroacetyl)amino]benzoate

Y031-9536 Screening compound: ethyl 4-[(2,2-dichloroacetyl)amino]benzoate
Y031-9536 Screening compound: ethyl 4-[(2,2-dichloroacetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9536
ethyl 4-[(2,2-dichloroacetyl)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

Y031-9536

Molecular Formula

C11H11Cl2NO3 (C11 H11 Cl2 NO3)

Compound Name

ethyl 4-[(2,2-dichloroacetyl)amino]benzoate

IUPAC name

ethyl 4-(22-dichloroacetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(Cl)Cl)=O)=O

InChI

InChI=1S/C11H11Cl2NO3/c1-2-17-11(16)7-3-5-8(6-4-7)14-10(15)9(12)13/h3-6,9H,2H2,1H3,(H,14,15)

InChI Key

MPJKGBOURQJEOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00594100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.12

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.25

Polar Surface Area

44.355

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with Y031-9536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9536?
Check Price and Availability of Y031-9536, 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 Y031-9536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9536
  • 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 Y031-9536 available by request