0378-0004 Screening compound: 5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)sulfonyl]-1,3-dihydro-2-benzofuran-1,3-dione

0378-0004 Screening compound: 5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)sulfonyl]-1,3-dihydro-2-benzofuran-1,3-dione
0378-0004 Screening compound: 5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)sulfonyl]-1,3-dihydro-2-benzofuran-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0378-0004
5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)sulfonyl]-1,3-dihydro-2-benzofuran-1,3-dione

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

0378-0004

Molecular Formula

C16H6O8S (C16 H6 O8 S)

Compound Name

5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)sulfonyl]-1,3-dihydro-2-benzofuran-1,3-dione

IUPAC name

5-[(13-dioxo-13-dihydro-2-benzofuran-5-yl)sulfonyl]-13-dihydro-2-benzofuran-13-dione

SMILES

O=C(c(cc1)c2cc1S(c(cc1)cc(C(O3)=O)c1C3=O)(=O)=O)OC2=O

InChI

InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H

InChI Key

ZHBXLZQQVCDGPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00039145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.28

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.285

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-2.23

Polar Surface Area

99.988

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0378-0004 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 0378-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0378-0004?
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What is the minimum amount of 0378-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0378-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0378-0004
  • 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 0378-0004 available by request