V011-5404 Screening compound: 3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine

V011-5404 Screening compound: 3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine
V011-5404 Screening compound: 3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5404
3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-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

V011-5404

Molecular Formula

C21H17BrN4S (C21 H17 BrN4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n1c(SCc(cc2)ccc2Br)nnc1-c1cnccc1

InChI

InChI=1S/C21H17BrN4S/c1-15-5-2-3-7-19(15)26-20(17-6-4-12-23-13-17)24-25-21(26)27-14-16-8-10-18(22)11-9-16/h2-13H,14H2,1H3

InChI Key

JYQZYBJMSSJJHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775947

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.36

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

4.824

Distribution Coefficient, logD

4.820

Water Solubility, LogSw

-4.37

Polar Surface Area

33.929

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with V011-5404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5404?
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What is the minimum amount of V011-5404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5404
  • 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 V011-5404 available by request