0711-0357 Screening compound: (2-nitrophenyl)methyl 2,4-dinitrobenzoate

0711-0357 Screening compound: (2-nitrophenyl)methyl 2,4-dinitrobenzoate
0711-0357 Screening compound: (2-nitrophenyl)methyl 2,4-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0357
(2-nitrophenyl)methyl 2,4-dinitrobenzoate

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

0711-0357

Molecular Formula

C14H9N3O8 (C14 H9 N3 O8)

Compound Name

(2-nitrophenyl)methyl 2,4-dinitrobenzoate

IUPAC name

(2-nitrophenyl)methyl 24-dinitrobenzoate

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1C(OCc(cccc1)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C14H9N3O8/c18-14(25-8-9-3-1-2-4-12(9)16(21)22)11-6-5-10(15(19)20)7-13(11)17(23)24/h1-7H,8H2

InChI Key

KSYZMCQGHFNROB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.24

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.71

Polar Surface Area

120.639

Acid Dissociation Constant (pKa)

29.23

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0711-0357 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 0711-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0357?
Check Price and Availability of 0711-0357, 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 0711-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0357
  • 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 0711-0357 available by request