8015-0910 Screening compound: 3-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-5-methyl-4-phenyl-4H-1,2,4-triazole

8015-0910 Screening compound: 3-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-5-methyl-4-phenyl-4H-1,2,4-triazole
8015-0910 Screening compound: 3-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-5-methyl-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0910
3-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-5-methyl-4-phenyl-4H-1,2,4-triazole

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

8015-0910

Molecular Formula

C21H16ClN3O2S (C21 H16 ClN3 O2 S)

Compound Name

3-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-5-methyl-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-5-methyl-4-phenyl-4H-124-triazole

SMILES

Cc(n1-c2ccccc2)nnc1SCc1ccc(C(c(cc2)ccc2Cl)=O)o1

InChI

InChI=1S/C21H16ClN3O2S/c1-14-23-24-21(25(14)17-5-3-2-4-6-17)28-13-18-11-12-19(27-18)20(26)15-7-9-16(22)10-8-15/h2-12H,13H2,1H3

InChI Key

PMUFZQFGXVQWPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.95

Polar Surface Area

47.069

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8015-0910 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 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
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8015-0910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0910?
Check Price and Availability of 8015-0910, 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 8015-0910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0910
  • 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 8015-0910 available by request