5941-3328 Screening compound: 4-[5-(benzylsulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine

5941-3328 Screening compound: 4-[5-(benzylsulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine
5941-3328 Screening compound: 4-[5-(benzylsulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-3328
4-[5-(benzylsulfanyl)-4-(2-methylpropyl)-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

5941-3328

Molecular Formula

C18H20N4S (C18 H20 N4 S)

Compound Name

4-[5-(benzylsulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

4-[5-(benzylsulfanyl)-4-(2-methylpropyl)-4H-124-triazol-3-yl]pyridine

SMILES

CC(C)Cn1c(SCc2ccccc2)nnc1-c1ccncc1

InChI

InChI=1S/C18H20N4S/c1-14(2)12-22-17(16-8-10-19-11-9-16)20-21-18(22)23-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3

InChI Key

NXFGYHMKGPKABO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03861977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.45

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

3.798

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-3.81

Polar Surface Area

33.669

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 5941-3328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-3328?
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What is the minimum amount of 5941-3328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-3328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-3328
  • 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 5941-3328 available by request