E594-0277 Screening compound: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

E594-0277 Screening compound: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate
E594-0277 Screening compound: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0277
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

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

E594-0277

Molecular Formula

C20H14N2O5 (C20 H14 N2 O5)

Compound Name

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

IUPAC name

3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

SMILES

CC(Oc(cccc1C=C2c3nc(-c4ccc(C)cc4)no3)c1OC2=O)=O

InChI

InChI=1S/C20H14N2O5/c1-11-6-8-13(9-7-11)18-21-19(27-22-18)15-10-14-4-3-5-16(25-12(2)23)17(14)26-20(15)24/h3-10H,1-2H3

InChI Key

AGZQLMYURMOPNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11834840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.47

Polar Surface Area

73.088

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with E594-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0277?
Check Price and Availability of E594-0277, 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 E594-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0277
  • 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 E594-0277 available by request