5867-4048 Screening compound: 2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide

5867-4048 Screening compound: 2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
5867-4048 Screening compound: 2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4048
2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(2-phenylethyl)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

5867-4048

Molecular Formula

C20H18N4OS2 (C20 H18 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc2scc(-c3ccccc3)n12)NCCc1ccccc1

InChI

InChI=1S/C20H18N4OS2/c25-18(21-12-11-15-7-3-1-4-8-15)14-27-20-23-22-19-24(20)17(13-26-19)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,21,25)

InChI Key

QKERMPWPVULQNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03994021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.67

Polar Surface Area

46.098

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5867-4048 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5867-4048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4048?
Check Price and Availability of 5867-4048, 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 5867-4048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4048
  • 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 5867-4048 available by request