3257-1196 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-nitrobenzoate

3257-1196 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-nitrobenzoate
3257-1196 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-1196
2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 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

3257-1196

Molecular Formula

C21H15NO5 (C21 H15 NO5)

Compound Name

2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-nitrobenzoate

IUPAC name

2-{[11'-biphenyl]-4-yl}-2-oxoethyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(OCC(c(cc1)ccc1-c1ccccc1)=O)=O)=O

InChI

InChI=1S/C21H15NO5/c23-20(14-27-21(24)18-10-12-19(13-11-18)22(25)26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2

InChI Key

ZRYNSGZTIOIMKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-5.21

Polar Surface Area

67.453

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 3257-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-1196?
Check Price and Availability of 3257-1196, 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 3257-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-1196
  • 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 3257-1196 available by request