0584-0241 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-nitrobenzoate

0584-0241 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-nitrobenzoate
0584-0241 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0241
2-(4-nitrophenyl)-2-oxoethyl 2-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

0584-0241

Molecular Formula

C15H10N2O7 (C15 H10 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(COC(c(cccc1)c1[N+]([O-])=O)=O)=O)=O

InChI

InChI=1S/C15H10N2O7/c18-14(10-5-7-11(8-6-10)16(20)21)9-24-15(19)12-3-1-2-4-13(12)17(22)23/h1-8H,9H2

InChI Key

VBPRAFKJIWDKEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00382320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.25

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

2.584

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-3.40

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

0584-0241 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0584-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0241?
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What is the minimum amount of 0584-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0241
  • 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 0584-0241 available by request