D178-0169 Screening compound: 3-(furan-2-yl)-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole

D178-0169 Screening compound: 3-(furan-2-yl)-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole
D178-0169 Screening compound: 3-(furan-2-yl)-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0169
3-(furan-2-yl)-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-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

D178-0169

Molecular Formula

C15H13N3OS (C15 H13 N3 OS)

Compound Name

3-(furan-2-yl)-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(furan-2-yl)-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-4H-124-triazole

SMILES

C=CCSc1nnc(-c2ccco2)n1-c1ccccc1

InChI

InChI=1S/C15H13N3OS/c1-2-11-20-15-17-16-14(13-9-6-10-19-13)18(15)12-7-4-3-5-8-12/h2-10H,1,11H2

InChI Key

JVBNGULRHTULTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09870594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.59

Polar Surface Area

33.562

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D178-0169 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D178-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0169?
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What is the minimum amount of D178-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0169
  • 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 D178-0169 available by request