5941-2559 Screening compound: 4-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine

5941-2559 Screening compound: 4-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine
5941-2559 Screening compound: 4-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-2559
4-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-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

5941-2559

Molecular Formula

C16H15BrN4S (C16 H15 BrN4 S)

Compound Name

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

IUPAC name

4-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-124-triazol-3-yl)pyridine

SMILES

CCn1c(SCc(cc2)ccc2Br)nnc1-c1ccncc1

InChI

InChI=1S/C16H15BrN4S/c1-2-21-15(13-7-9-18-10-8-13)19-20-16(21)22-11-12-3-5-14(17)6-4-12/h3-10H,2,11H2,1H3

InChI Key

RLTJGWZANMGDJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03862100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.29

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

3.739

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-3.75

Polar Surface Area

33.394

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5941-2559 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5941-2559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-2559?
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What is the minimum amount of 5941-2559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-2559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-2559
  • 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 5941-2559 available by request