E594-0077 Screening compound: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-chromen-2-one

E594-0077 Screening compound: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-chromen-2-one
E594-0077 Screening compound: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0077
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-chromen-2-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

E594-0077

Molecular Formula

C21H18ClN3O3 (C21 H18 ClN3 O3)

Compound Name

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-(diethylamino)-2H-chromen-2-one

IUPAC name

3-[3-(2-chlorophenyl)-124-oxadiazol-5-yl]-7-(diethylamino)-2H-chromen-2-one

SMILES

CCN(CC)c(cc1)cc(O2)c1C=C(c1nc(-c(cccc3)c3Cl)no1)C2=O

InChI

InChI=1S/C21H18ClN3O3/c1-3-25(4-2)14-10-9-13-11-16(21(26)27-18(13)12-14)20-23-19(24-28-20)15-7-5-6-8-17(15)22/h5-12H,3-4H2,1-2H3

InChI Key

ZQRUWUIGBXZVHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.99

Polar Surface Area

55.302

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E594-0077 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E594-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0077?
Check Price and Availability of E594-0077, 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 E594-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0077
  • 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 E594-0077 available by request