0368-0044 Screening compound: propan-2-yl 2-(4-chloro-3-nitrobenzoyloxy)propanoate

0368-0044 Screening compound: propan-2-yl 2-(4-chloro-3-nitrobenzoyloxy)propanoate
0368-0044 Screening compound: propan-2-yl 2-(4-chloro-3-nitrobenzoyloxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0368-0044
propan-2-yl 2-(4-chloro-3-nitrobenzoyloxy)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

0368-0044

Molecular Formula

C13H14ClNO6 (C13 H14 ClNO6)

Compound Name

propan-2-yl 2-(4-chloro-3-nitrobenzoyloxy)propanoate

IUPAC name

propan-2-yl 2-(4-chloro-3-nitrobenzoyloxy)propanoate

SMILES

CC(C)OC(C(C)OC(c(cc1)cc([N+]([O-])=O)c1Cl)=O)=O

InChI

InChI=1S/C13H14ClNO6/c1-7(2)20-12(16)8(3)21-13(17)9-4-5-10(14)11(6-9)15(18)19/h4-8H,1-3H3/t8-/m0/s1

InChI Key

QONJNCZKTSEMJV-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00985474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.934

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.56

Polar Surface Area

74.171

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 0368-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0368-0044?
Check Price and Availability of 0368-0044, 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 0368-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0368-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0368-0044
  • 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 0368-0044 available by request