7612-0021 Screening compound: 4-[(4Z)-2-(3,4-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one

7612-0021 Screening compound: 4-[(4Z)-2-(3,4-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one
7612-0021 Screening compound: 4-[(4Z)-2-(3,4-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7612-0021
4-[(4Z)-2-(3,4-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(furan-2-yl)-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

7612-0021

Molecular Formula

C24H17NO6 (C24 H17 NO6)

Compound Name

4-[(4Z)-2-(3,4-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

4-[(4Z)-2-(34-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(furan-2-yl)-45-dihydro-13-oxazol-5-one

SMILES

COc(ccc(C(Oc1c2cccc1)=C/C2=C1/N=C(c2ccco2)OC1=O)c1)c1OC

InChI

InChI=1S/C24H17NO6/c1-27-18-10-9-14(12-21(18)28-2)20-13-16(15-6-3-4-7-17(15)30-20)22-24(26)31-23(25-22)19-8-5-11-29-19/h3-13H,1-2H3

InChI Key

KHZFDGXTAVKVMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06492884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.36

Polar Surface Area

62.934

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 7612-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7612-0021?
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What is the minimum amount of 7612-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7612-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7612-0021
  • 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 7612-0021 available by request