8007-5788 Screening compound: 5-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-amine

8007-5788 Screening compound: 5-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-amine
8007-5788 Screening compound: 5-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5788
5-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-amine

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

8007-5788

Molecular Formula

C10H9N3O2S2 (C10 H9 N3 O2 S2)

Compound Name

5-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-amine

IUPAC name

5-{[(2H-13-benzodioxol-5-yl)methyl]sulfanyl}-134-thiadiazol-2-amine

SMILES

Nc1nnc(SCc(cc2)cc3c2OCO3)s1

InChI

InChI=1S/C10H9N3O2S2/c11-9-12-13-10(17-9)16-4-6-1-2-7-8(3-6)15-5-14-7/h1-3H,4-5H2,(H2,11,12)

InChI Key

OSNBEKWVOYPOQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.069

Distribution Coefficient, logD

2.069

Water Solubility, LogSw

-2.59

Polar Surface Area

60.745

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8007-5788 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8007-5788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5788?
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What is the minimum amount of 8007-5788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5788
  • 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 8007-5788 available by request