5867-4098 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

5867-4098 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
5867-4098 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4098
2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

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

5867-4098

Molecular Formula

C19H15ClN4O2S2 (C19 H15 ClN4 O2 S2)

Compound Name

2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

IUPAC name

2-{[5-(4-chlorophenyl)-[124]triazolo[34-b][13]thiazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CSc2nnc3scc(-c(cc4)ccc4Cl)n23)=O)c1

InChI

InChI=1S/C19H15ClN4O2S2/c1-26-15-4-2-3-14(9-15)21-17(25)11-28-19-23-22-18-24(19)16(10-27-18)12-5-7-13(20)8-6-12/h2-10H,11H2,1H3,(H,21,25)

InChI Key

JATLGFCACVJPSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-4.94

Polar Surface Area

52.479

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5867-4098 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 5867-4098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4098?
Check Price and Availability of 5867-4098, 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 5867-4098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4098
  • 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 5867-4098 available by request