E594-0353 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-chromen-8-yl acetate

E594-0353 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-chromen-8-yl acetate
E594-0353 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-chromen-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0353
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-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

E594-0353

Molecular Formula

C24H20N2O7 (C24 H20 N2 O7)

Compound Name

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

IUPAC name

3-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-chromen-8-yl acetate

SMILES

CC(C)(C)c(cc1C=C2c3nc(-c(cc4)cc5c4OCO5)no3)cc(OC(C)=O)c1OC2=O

InChI

InChI=1S/C24H20N2O7/c1-12(27)31-19-10-15(24(2,3)4)7-14-8-16(23(28)32-20(14)19)22-25-21(26-33-22)13-5-6-17-18(9-13)30-11-29-17/h5-10H,11H2,1-4H3

InChI Key

GXFYYWNXKGTCFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-5.53

Polar Surface Area

90.203

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E594-0353 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E594-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0353?
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What is the minimum amount of E594-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0353
  • 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 E594-0353 available by request