0368-0081 Screening compound: propan-2-yl 2-(3,4-dichlorobenzoyloxy)propanoate

0368-0081 Screening compound: propan-2-yl 2-(3,4-dichlorobenzoyloxy)propanoate
0368-0081 Screening compound: propan-2-yl 2-(3,4-dichlorobenzoyloxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0368-0081
propan-2-yl 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

0368-0081

Molecular Formula

C13H14Cl2O4 (C13 H14 Cl2 O4)

Compound Name

propan-2-yl 2-(3,4-dichlorobenzoyloxy)propanoate

IUPAC name

propan-2-yl 2-(34-dichlorobenzoyloxy)propanoate

SMILES

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

InChI

InChI=1S/C13H14Cl2O4/c1-7(2)18-12(16)8(3)19-13(17)9-4-5-10(14)11(15)6-9/h4-8H,1-3H3/t8-/m0/s1

InChI Key

MSBXKYOTHNSJOG-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00805107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.16

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

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.32

Polar Surface Area

41.090

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

0368-0081 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0368-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0368-0081?
Check Price and Availability of 0368-0081, 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 0368-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0368-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0368-0081
  • 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 0368-0081 available by request