1683-0249 Screening compound: ethyl 3-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}benzoate

1683-0249 Screening compound: ethyl 3-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}benzoate
1683-0249 Screening compound: ethyl 3-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0249
ethyl 3-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]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

1683-0249

Molecular Formula

C21H19NO6 (C21 H19 NO6)

Compound Name

ethyl 3-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}benzoate

IUPAC name

ethyl 3-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(COc(cc2)cc(O3)c2C(C)=CC3=O)=O)c1)=O

InChI

InChI=1S/C21H19NO6/c1-3-26-21(25)14-5-4-6-15(10-14)22-19(23)12-27-16-7-8-17-13(2)9-20(24)28-18(17)11-16/h4-11H,3,12H2,1-2H3,(H,22,23)

InChI Key

GCZITQYGDXOZMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.02

Polar Surface Area

71.776

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1683-0249 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 1683-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0249?
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What is the minimum amount of 1683-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0249
  • 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 1683-0249 available by request