V007-5315 Screening compound: 2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound V007-5315
2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
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
V007-5315
Molecular Formula
C24H20N4S (C24 H20 N4 S)
Compound Name
2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
IUPAC name
2-({[5-benzyl-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile
SMILES
Cc(cccc1)c1-n1c(SCc(cccc2)c2C#N)nnc1Cc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
396.52
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.184
Distribution Coefficient, logD
5.184
Water Solubility, LogSw
-5.28
Polar Surface Area
42.444
Acid Dissociation Constant (pKa)
24.52
Base Dissociation Constant (pKb)
4.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.50
V007-5315 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Kinases
References: we are preparing a list of scientific research reports with V007-5315 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)