8006-3398 Screening compound: 4-[(2-oxo-2-phenylethoxy)carbonyl]phenyl 4-nitrobenzoate

8006-3398 Screening compound: 4-[(2-oxo-2-phenylethoxy)carbonyl]phenyl 4-nitrobenzoate
8006-3398 Screening compound: 4-[(2-oxo-2-phenylethoxy)carbonyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3398
4-[(2-oxo-2-phenylethoxy)carbonyl]phenyl 4-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

8006-3398

Molecular Formula

C22H15NO7 (C22 H15 NO7)

Compound Name

4-[(2-oxo-2-phenylethoxy)carbonyl]phenyl 4-nitrobenzoate

IUPAC name

4-[(2-oxo-2-phenylethoxy)carbonyl]phenyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(Oc(cc1)ccc1C(OCC(c1ccccc1)=O)=O)=O)=O

InChI

InChI=1S/C22H15NO7/c24-20(15-4-2-1-3-5-15)14-29-21(25)16-8-12-19(13-9-16)30-22(26)17-6-10-18(11-7-17)23(27)28/h1-13H,14H2

InChI Key

RYUZHPKWQLHHKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.199

Distribution Coefficient, logD

4.199

Water Solubility, LogSw

-4.52

Polar Surface Area

88.102

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8006-3398 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 8006-3398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3398?
Check Price and Availability of 8006-3398, 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 8006-3398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3398
  • 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 8006-3398 available by request