7612-0002 Screening compound: 4-[(4Z)-2-(4-ethoxyphenyl)-4H-chromen-4-ylidene]-2-methyl-4,5-dihydro-1,3-oxazol-5-one

7612-0002 Screening compound: 4-[(4Z)-2-(4-ethoxyphenyl)-4H-chromen-4-ylidene]-2-methyl-4,5-dihydro-1,3-oxazol-5-one
7612-0002 Screening compound: 4-[(4Z)-2-(4-ethoxyphenyl)-4H-chromen-4-ylidene]-2-methyl-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7612-0002
4-[(4Z)-2-(4-ethoxyphenyl)-4H-chromen-4-ylidene]-2-methyl-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

7612-0002

Molecular Formula

C21H17NO4 (C21 H17 NO4)

Compound Name

4-[(4Z)-2-(4-ethoxyphenyl)-4H-chromen-4-ylidene]-2-methyl-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

4-[(4Z)-2-(4-ethoxyphenyl)-4H-chromen-4-ylidene]-2-methyl-45-dihydro-13-oxazol-5-one

SMILES

CCOc(cc1)ccc1C(Oc1c2cccc1)=C/C2=C1/N=C(C)OC1=O

InChI

InChI=1S/C21H17NO4/c1-3-24-15-10-8-14(9-11-15)19-12-17(20-21(23)25-13(2)22-20)16-6-4-5-7-18(16)26-19/h4-12H,3H2,1-2H3

InChI Key

ITJYVZZSHBGDKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-4.44

Polar Surface Area

45.711

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7612-0002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7612-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7612-0002?
Check Price and Availability of 7612-0002, 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 7612-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7612-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7612-0002
  • 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 7612-0002 available by request