0584-0285 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-benzoylbenzoate

0584-0285 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-benzoylbenzoate
0584-0285 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-benzoylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0285
2-(4-nitrophenyl)-2-oxoethyl 2-benzoylbenzoate

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

0584-0285

Molecular Formula

C22H15NO6 (C22 H15 NO6)

Compound Name

2-(4-nitrophenyl)-2-oxoethyl 2-benzoylbenzoate

IUPAC name

2-(4-nitrophenyl)-2-oxoethyl 2-benzoylbenzoate

SMILES

[O-][N+](c(cc1)ccc1C(COC(c(cccc1)c1C(c1ccccc1)=O)=O)=O)=O

InChI

InChI=1S/C22H15NO6/c24-20(15-10-12-17(13-11-15)23(27)28)14-29-22(26)19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13H,14H2

InChI Key

NLVSPIBPCCQSJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00339915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-4.39

Polar Surface Area

81.192

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

0584-0285 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 0584-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0285?
Check Price and Availability of 0584-0285, 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 0584-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0285
  • 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 0584-0285 available by request