0584-0267 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 3-methylbenzoate

0584-0267 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 3-methylbenzoate
0584-0267 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0267
2-(4-nitrophenyl)-2-oxoethyl 3-methylbenzoate

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

0584-0267

Molecular Formula

C16H13NO5 (C16 H13 NO5)

Compound Name

2-(4-nitrophenyl)-2-oxoethyl 3-methylbenzoate

IUPAC name

2-(4-nitrophenyl)-2-oxoethyl 3-methylbenzoate

SMILES

Cc1cccc(C(OCC(c(cc2)ccc2[N+]([O-])=O)=O)=O)c1

InChI

InChI=1S/C16H13NO5/c1-11-3-2-4-13(9-11)16(19)22-10-15(18)12-5-7-14(8-6-12)17(20)21/h2-9H,10H2,1H3

InChI Key

XGPFYIAUZKWZPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00401864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.28

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

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.71

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

12.50

References: we are preparing a list of scientific research reports with 0584-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0267?
Check Price and Availability of 0584-0267, 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 0584-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0267
  • 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 0584-0267 available by request