0526-5739 Screening compound: butyl 2-(2-chloro-4-nitrobenzoyloxy)propanoate

0526-5739 Screening compound: butyl 2-(2-chloro-4-nitrobenzoyloxy)propanoate
0526-5739 Screening compound: butyl 2-(2-chloro-4-nitrobenzoyloxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0526-5739
butyl 2-(2-chloro-4-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

0526-5739

Molecular Formula

C14H16ClNO6 (C14 H16 ClNO6)

Compound Name

butyl 2-(2-chloro-4-nitrobenzoyloxy)propanoate

IUPAC name

butyl 2-(2-chloro-4-nitrobenzoyloxy)propanoate

SMILES

CCCCOC(C(C)OC(c(ccc([N+]([O-])=O)c1)c1Cl)=O)=O

InChI

InChI=1S/C14H16ClNO6/c1-3-4-7-21-13(17)9(2)22-14(18)11-6-5-10(16(19)20)8-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1

InChI Key

CWHQFHBKGSFMGE-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00805354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.40

Polar Surface Area

75.087

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

0526-5739 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 0526-5739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0526-5739?
Check Price and Availability of 0526-5739, 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 0526-5739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0526-5739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0526-5739
  • 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 0526-5739 available by request