1683-0246 Screening compound: ethyl 3-[2-(4-nitrophenoxy)acetamido]benzoate

1683-0246 Screening compound: ethyl 3-[2-(4-nitrophenoxy)acetamido]benzoate
1683-0246 Screening compound: ethyl 3-[2-(4-nitrophenoxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0246
ethyl 3-[2-(4-nitrophenoxy)acetamido]benzoate

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

1683-0246

Molecular Formula

C17H16N2O6 (C17 H16 N2 O6)

Compound Name

ethyl 3-[2-(4-nitrophenoxy)acetamido]benzoate

IUPAC name

ethyl 3-[2-(4-nitrophenoxy)acetamido]benzoate

SMILES

CCOC(c1cccc(NC(COc(cc2)ccc2[N+]([O-])=O)=O)c1)=O

InChI

InChI=1S/C17H16N2O6/c1-2-24-17(21)12-4-3-5-13(10-12)18-16(20)11-25-15-8-6-14(7-9-15)19(22)23/h3-10H,2,11H2,1H3,(H,18,20)

InChI Key

BXCCSVJYLFAQLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-3.97

Polar Surface Area

84.751

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1683-0246 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1683-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0246?
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What is the minimum amount of 1683-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0246
  • 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 1683-0246 available by request