6143-0118 Screening compound: 3-(phenethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole

6143-0118 Screening compound: 3-(phenethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
6143-0118 Screening compound: 3-(phenethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6143-0118
3-(phenethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole

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

6143-0118

Molecular Formula

C16H13N3S2 (C16 H13 N3 S2)

Compound Name

3-(phenethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole

IUPAC name

3-[(2-phenylethyl)sulfanyl]-7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

C(CSc1nnc2sc(cccc3)c3n12)c1ccccc1

InChI

InChI=1S/C16H13N3S2/c1-2-6-12(7-3-1)10-11-20-15-17-18-16-19(15)13-8-4-5-9-14(13)21-16/h1-9H,10-11H2

InChI Key

BNXKARNVXHVPLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.52

Polar Surface Area

22.307

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6143-0118 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with 6143-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6143-0118?
Check Price and Availability of 6143-0118, 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 6143-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6143-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6143-0118
  • 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 6143-0118 available by request