5941-3330 Screening compound: 4-(5-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl)pyridine

5941-3330 Screening compound: 4-(5-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl)pyridine
5941-3330 Screening compound: 4-(5-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-3330
4-(5-{[(4-methylphenyl)methyl]sulfanyl}-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

5941-3330

Molecular Formula

C19H22N4S (C19 H22 N4 S)

Compound Name

4-(5-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl)pyridine

IUPAC name

4-(5-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-4H-124-triazol-3-yl)pyridine

SMILES

CC(C)Cn1c(SCc2ccc(C)cc2)nnc1-c1ccncc1

InChI

InChI=1S/C19H22N4S/c1-14(2)12-23-18(17-8-10-20-11-9-17)21-22-19(23)24-13-16-6-4-15(3)5-7-16/h4-11,14H,12-13H2,1-3H3

InChI Key

AFYIGZAAISDEEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03861989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.48

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

4.221

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.00

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

31.60

5941-3330 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 5941-3330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-3330?
Check Price and Availability of 5941-3330, 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 5941-3330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-3330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-3330
  • 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 5941-3330 available by request