D178-0170 Screening compound: 3-[4-benzyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

D178-0170 Screening compound: 3-[4-benzyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
D178-0170 Screening compound: 3-[4-benzyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0170
3-[4-benzyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

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

D178-0170

Molecular Formula

C17H16N4S (C17 H16 N4 S)

Compound Name

3-[4-benzyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

3-[4-benzyl-5-(prop-2-en-1-ylsulfanyl)-4H-124-triazol-3-yl]pyridine

SMILES

C=CCSc1nnc(-c2cnccc2)n1Cc1ccccc1

InChI

InChI=1S/C17H16N4S/c1-2-11-22-17-20-19-16(15-9-6-10-18-12-15)21(17)13-14-7-4-3-5-8-14/h2-10,12H,1,11,13H2

InChI Key

RFWAMMDROFLJTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.06

Polar Surface Area

33.759

Acid Dissociation Constant (pKa)

17.51

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D178-0170 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 D178-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0170?
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What is the minimum amount of D178-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0170
  • 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 D178-0170 available by request