0657-0052 Screening compound: 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-7-yl acetate

0657-0052 Screening compound: 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-7-yl acetate
0657-0052 Screening compound: 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0657-0052
2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-7-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

0657-0052

Molecular Formula

C19H12N2O5 (C19 H12 N2 O5)

Compound Name

2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-7-yl acetate

IUPAC name

2-oxo-3-(5-phenyl-134-oxadiazol-2-yl)-2H-chromen-7-yl acetate

SMILES

CC(Oc(cc1)cc(O2)c1C=C(c1nnc(-c3ccccc3)o1)C2=O)=O

InChI

InChI=1S/C19H12N2O5/c1-11(22)24-14-8-7-13-9-15(19(23)25-16(13)10-14)18-21-20-17(26-18)12-5-3-2-4-6-12/h2-10H,1H3

InChI Key

SZMHCADSMQSNSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.31

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

2.444

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.93

Polar Surface Area

72.155

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

0657-0052 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 0657-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0657-0052?
Check Price and Availability of 0657-0052, 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 0657-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0657-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0657-0052
  • 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 0657-0052 available by request