8017-6785 Screening compound: 3,4-bis(2-furylcarbonyl)-1,2,5-oxadiazol-5-ium-5-olate

8017-6785 Screening compound: 3,4-bis(2-furylcarbonyl)-1,2,5-oxadiazol-5-ium-5-olate
8017-6785 Screening compound: 3,4-bis(2-furylcarbonyl)-1,2,5-oxadiazol-5-ium-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6785
3,4-bis(2-furylcarbonyl)-1,2,5-oxadiazol-5-ium-5-olate

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

8017-6785

Molecular Formula

C12H6N2O6 (C12 H6 N2 O6)

Compound Name

3,4-bis(2-furylcarbonyl)-1,2,5-oxadiazol-5-ium-5-olate

IUPAC name

bis(furan-2-carbonyl)-125-oxadiazol-2-ium-2-olate

SMILES

[O-][n+]1c(C(c2ccco2)=O)c(C(c2ccco2)=O)no1

InChI

InChI=1S/C12H6N2O6/c15-11(7-3-1-5-18-7)9-10(14(17)20-13-9)12(16)8-4-2-6-19-8/h1-6H

InChI Key

CFCYEMMQXVMYQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-1.60

Polar Surface Area

85.361

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-16.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-6785 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-6785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6785?
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What is the minimum amount of 8017-6785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6785
  • 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 8017-6785 available by request