2222-0092 Screening compound: 2-oxo-2-phenylethyl 4-nitrobenzoate

2222-0092 Screening compound: 2-oxo-2-phenylethyl 4-nitrobenzoate
2222-0092 Screening compound: 2-oxo-2-phenylethyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2222-0092
2-oxo-2-phenylethyl 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

2222-0092

Molecular Formula

C15H11NO5 (C15 H11 NO5)

Compound Name

2-oxo-2-phenylethyl 4-nitrobenzoate

IUPAC name

2-oxo-2-phenylethyl 4-nitrobenzoate

SMILES

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

InChI

InChI=1S/C15H11NO5/c17-14(11-4-2-1-3-5-11)10-21-15(18)12-6-8-13(9-7-12)16(19)20/h1-9H,10H2

InChI Key

HTUPFJNHCYKLPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01020951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.44

Polar Surface Area

67.725

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 2222-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2222-0092?
Check Price and Availability of 2222-0092, 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 2222-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2222-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2222-0092
  • 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 2222-0092 available by request