3257-0860 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate

3257-0860 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate
3257-0860 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-0860
2-(3-nitrophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate

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

3257-0860

Molecular Formula

C18H17NO8 (C18 H17 NO8)

Compound Name

2-(3-nitrophenyl)-2-oxoethyl 3,4,5-trimethoxybenzoate

IUPAC name

2-(3-nitrophenyl)-2-oxoethyl 345-trimethoxybenzoate

SMILES

COc1cc(C(OCC(c2cccc([N+]([O-])=O)c2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C18H17NO8/c1-24-15-8-12(9-16(25-2)17(15)26-3)18(21)27-10-14(20)11-5-4-6-13(7-11)19(22)23/h4-9H,10H2,1-3H3

InChI Key

FDOVRHNSZISZGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.34

Polar Surface Area

90.702

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3257-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-0860?
Check Price and Availability of 3257-0860, 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 3257-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-0860
  • 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 3257-0860 available by request