0368-0095 Screening compound: ethyl 2-(3,4-dichlorobenzoyloxy)propanoate

0368-0095 Screening compound: ethyl 2-(3,4-dichlorobenzoyloxy)propanoate
0368-0095 Screening compound: ethyl 2-(3,4-dichlorobenzoyloxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0368-0095
ethyl 2-(3,4-dichlorobenzoyloxy)propanoate

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

0368-0095

Molecular Formula

C12H12Cl2O4 (C12 H12 Cl2 O4)

Compound Name

ethyl 2-(3,4-dichlorobenzoyloxy)propanoate

IUPAC name

ethyl 2-(34-dichlorobenzoyloxy)propanoate

SMILES

CCOC(C(C)OC(c(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C12H12Cl2O4/c1-3-17-11(15)7(2)18-12(16)8-4-5-9(13)10(14)6-8/h4-7H,3H2,1-2H3/t7-/m0/s1

InChI Key

SURLWBLXPLMUCS-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD00805111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-3.69

Polar Surface Area

41.411

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

0368-0095 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0368-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0368-0095?
Check Price and Availability of 0368-0095, 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 0368-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0368-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0368-0095
  • 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 0368-0095 available by request