5867-4141 Screening compound: 3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(2-phenylethyl)propanamide

5867-4141 Screening compound: 3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(2-phenylethyl)propanamide
5867-4141 Screening compound: 3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4141
3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(2-phenylethyl)propanamide

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

5867-4141

Molecular Formula

C21H19ClN4OS2 (C21 H19 ClN4 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCSc1nnc2scc(-c(cc3)ccc3Cl)n12)NCCc1ccccc1

InChI

InChI=1S/C21H19ClN4OS2/c22-17-8-6-16(7-9-17)18-14-29-21-25-24-20(26(18)21)28-13-11-19(27)23-12-10-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,27)

InChI Key

FBZWRKZONPDDMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.70

Polar Surface Area

46.098

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5867-4141 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5867-4141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4141?
Check Price and Availability of 5867-4141, 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 5867-4141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4141
  • 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 5867-4141 available by request