1171-0524 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 4-chloro-3-nitrobenzoate

1171-0524 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 4-chloro-3-nitrobenzoate
1171-0524 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 4-chloro-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1171-0524
2-(3-nitrophenyl)-2-oxoethyl 4-chloro-3-nitrobenzoate

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

1171-0524

Molecular Formula

C15H9ClN2O7 (C15 H9 ClN2 O7)

Compound Name

2-(3-nitrophenyl)-2-oxoethyl 4-chloro-3-nitrobenzoate

IUPAC name

2-(3-nitrophenyl)-2-oxoethyl 4-chloro-3-nitrobenzoate

SMILES

[O-][N+](c1cccc(C(COC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)=O)c1)=O

InChI

InChI=1S/C15H9ClN2O7/c16-12-5-4-10(7-13(12)18(23)24)15(20)25-8-14(19)9-2-1-3-11(6-9)17(21)22/h1-7H,8H2

InChI Key

VTRMGJGINMDWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.7

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-3.97

Polar Surface Area

100.805

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 1171-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1171-0524?
Check Price and Availability of 1171-0524, 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 1171-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1171-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1171-0524
  • 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 1171-0524 available by request