2047-9606 Screening compound: 4-[(1E)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

2047-9606 Screening compound: 4-[(1E)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
2047-9606 Screening compound: 4-[(1E)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9606
4-[(1E)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

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

2047-9606

Molecular Formula

C20H15NO7 (C20 H15 NO7)

Compound Name

4-[(1E)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

4-[(1E)-3-oxo-13-dihydro-2-benzofuran-1-ylidene]-2-(345-trimethoxyphenyl)-45-dihydro-13-oxazol-5-one

SMILES

COc1cc(C(OC2=O)=N/C2=C(\c2c3cccc2)/OC3=O)cc(OC)c1OC

InChI

InChI=1S/C20H15NO7/c1-24-13-8-10(9-14(25-2)17(13)26-3)18-21-15(20(23)28-18)16-11-6-4-5-7-12(11)19(22)27-16/h4-9H,1-3H3

InChI Key

RYZXOKVNAWCVRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.205

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-2.92

Polar Surface Area

76.630

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

2047-9606 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2047-9606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9606?
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What is the minimum amount of 2047-9606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9606
  • 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 2047-9606 available by request