5402-0350 Screening compound: methyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetate

5402-0350 Screening compound: methyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetate
5402-0350 Screening compound: methyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5402-0350
methyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetate

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

5402-0350

Molecular Formula

C11H9N3O2S2 (C11 H9 N3 O2 S2)

Compound Name

methyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetate

IUPAC name

n/a

SMILES

COC(CSc1nnc2sc(cccc3)c3n12)=O

InChI

InChI=1S/C11H9N3O2S2/c1-16-9(15)6-17-10-12-13-11-14(10)7-4-2-3-5-8(7)18-11/h2-5H,6H2,1H3

InChI Key

JJULXVLQESQFPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.051

Distribution Coefficient, logD

2.051

Water Solubility, LogSw

-2.14

Polar Surface Area

43.157

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

5402-0350 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5402-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5402-0350?
Check Price and Availability of 5402-0350, 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 5402-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5402-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5402-0350
  • 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 5402-0350 available by request