5867-4080 Screening compound: N-(4-fluorophenyl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)propanamide

5867-4080 Screening compound: N-(4-fluorophenyl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)propanamide
5867-4080 Screening compound: N-(4-fluorophenyl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4080
N-(4-fluorophenyl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)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

5867-4080

Molecular Formula

C19H15FN4OS2 (C19 H15 FN4 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc(cc1)ccc1F

InChI

InChI=1S/C19H15FN4OS2/c20-14-6-8-15(9-7-14)21-17(25)10-11-26-18-22-23-19-24(18)16(12-27-19)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,25)

InChI Key

LWJILQZVZPLDFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03994374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.27

Polar Surface Area

44.935

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5867-4080 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 5867-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4080?
Check Price and Availability of 5867-4080, 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 5867-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4080
  • 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 5867-4080 available by request