5867-4050 Screening compound: N-[(FURAN-2-YL)METHYL]-2-({5-PHENYL-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-3-YL}SULFANYL)ACETAMIDE

5867-4050 Screening compound: N-[(FURAN-2-YL)METHYL]-2-({5-PHENYL-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-3-YL}SULFANYL)ACETAMIDE
5867-4050 Screening compound: N-[(FURAN-2-YL)METHYL]-2-({5-PHENYL-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-3-YL}SULFANYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4050
N-[(FURAN-2-YL)METHYL]-2-({5-PHENYL-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-3-YL}SULFANYL)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

5867-4050

Molecular Formula

C17H14N4O2S2 (C17 H14 N4 O2 S2)

Compound Name

N-[(FURAN-2-YL)METHYL]-2-({5-PHENYL-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-3-YL}SULFANYL)ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccco1

InChI

InChI=1S/C17H14N4O2S2/c22-15(18-9-13-7-4-8-23-13)11-25-17-20-19-16-21(17)14(10-24-16)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,22)

InChI Key

WFPJQCOAZQLCNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.46

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

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.59

Polar Surface Area

54.006

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

5867-4050 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
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 5867-4050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4050?
Check Price and Availability of 5867-4050, 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 5867-4050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4050
  • 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 5867-4050 available by request