8017-2353 Screening compound: 5-(3-pyridyl)-1,3,4-thiadiazol-2-ylhydrosulfide

8017-2353 Screening compound: 5-(3-pyridyl)-1,3,4-thiadiazol-2-ylhydrosulfide
8017-2353 Screening compound: 5-(3-pyridyl)-1,3,4-thiadiazol-2-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2353
5-(3-pyridyl)-1,3,4-thiadiazol-2-ylhydrosulfide

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

8017-2353

Molecular Formula

C7H5N3S2 (C7 H5 N3 S2)

Compound Name

5-(3-pyridyl)-1,3,4-thiadiazol-2-ylhydrosulfide

IUPAC name

5-(pyridin-3-yl)-134-thiadiazole-2-thiol

SMILES

Sc1nnc(-c2cnccc2)s1

InChI

InChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-2-1-3-8-4-5/h1-4H,(H,10,11)

InChI Key

JKGZFPMDTJXQEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03789156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.076

Distribution Coefficient, logD

-0.764

Water Solubility, LogSw

-1.03

Polar Surface Area

31.788

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-2353 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-2353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2353?
Check Price and Availability of 8017-2353, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-2353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2353
  • 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 8017-2353 available by request