2062-0291 Screening compound: (4Z)-2-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2062-0291 Screening compound: (4Z)-2-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2062-0291 Screening compound: (4Z)-2-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2062-0291
(4Z)-2-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-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

2062-0291

Molecular Formula

C18H11NO6 (C18 H11 NO6)

Compound Name

(4Z)-2-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(2H-13-benzodioxol-5-yl)-4-[(2H-13-benzodioxol-5-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c(cc2)cc3c2OCO3)=N/C1=C\c(cc1)cc2c1OCO2

InChI

InChI=1S/C18H11NO6/c20-18-12(5-10-1-3-13-15(6-10)23-8-21-13)19-17(25-18)11-2-4-14-16(7-11)24-9-22-14/h1-7H,8-9H2

InChI Key

QACOTSOPWUJKGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.32

Polar Surface Area

64.607

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2062-0291 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 2062-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2062-0291?
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What is the minimum amount of 2062-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2062-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2062-0291
  • 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 2062-0291 available by request