8018-6934 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one

8018-6934 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one
8018-6934 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6934
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-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

8018-6934

Molecular Formula

C17H12O5 (C17 H12 O5)

Compound Name

3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one

IUPAC name

3-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-13-dihydro-2-benzofuran-1-one

SMILES

O=C(CC(c1c2cccc1)OC2=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C17H12O5/c18-13(10-5-6-14-16(7-10)21-9-20-14)8-15-11-3-1-2-4-12(11)17(19)22-15/h1-7,15H,8-9H2/t15-/m1/s1

InChI Key

NHULEJBQQJQFCS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06598457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-3.20

Polar Surface Area

52.378

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8018-6934 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8018-6934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6934?
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What is the minimum amount of 8018-6934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6934
  • 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 8018-6934 available by request