8014-2565 Screening compound: 1-(5-methylfuran-2-yl)-2-{[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

8014-2565 Screening compound: 1-(5-methylfuran-2-yl)-2-{[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
8014-2565 Screening compound: 1-(5-methylfuran-2-yl)-2-{[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2565
1-(5-methylfuran-2-yl)-2-{[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

8014-2565

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

1-(5-methylfuran-2-yl)-2-{[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(5-methylfuran-2-yl)-2-{[4-phenyl-5-(phenylamino)-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

Cc1ccc(C(CSc2nnc(Nc3ccccc3)n2-c2ccccc2)=O)o1

InChI

InChI=1S/C21H18N4O2S/c1-15-12-13-19(27-15)18(26)14-28-21-24-23-20(22-16-8-4-2-5-9-16)25(21)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,22,23)

InChI Key

GJUZPIOWDJLNIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

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

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.27

Polar Surface Area

57.143

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8014-2565 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Agro:
  • Agro
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-2565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2565?
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What is the minimum amount of 8014-2565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2565
  • 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 8014-2565 available by request