E594-0369 Screening compound: 6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-chromen-8-yl acetate

E594-0369 Screening compound: 6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-chromen-8-yl acetate
E594-0369 Screening compound: 6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-chromen-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0369
6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-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

E594-0369

Molecular Formula

C23H20N2O5 (C23 H20 N2 O5)

Compound Name

6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-chromen-8-yl acetate

IUPAC name

6-tert-butyl-2-oxo-3-(3-phenyl-124-oxadiazol-5-yl)-2H-chromen-8-yl acetate

SMILES

CC(C)(C)c(cc1C=C2c3nc(-c4ccccc4)no3)cc(OC(C)=O)c1OC2=O

InChI

InChI=1S/C23H20N2O5/c1-13(26)28-18-12-16(23(2,3)4)10-15-11-17(22(27)29-19(15)18)21-24-20(25-30-21)14-8-6-5-7-9-14/h5-12H,1-4H3

InChI Key

YYAVPOLTWFLVRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.59

Polar Surface Area

73.088

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-10.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with E594-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0369?
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What is the minimum amount of E594-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0369
  • 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 E594-0369 available by request