V002-6902 Screening compound: 3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of ChemDiv screening compound V002-6902
3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
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
V002-6902
Molecular Formula
C23H21N3O2S (C23 H21 N3 O2 S)
Compound Name
3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
IUPAC name
3-(benzylsulfanyl)-5-(34-dimethoxyphenyl)-4-phenyl-4H-124-triazole
SMILES
COc(ccc(-c(n1-c2ccccc2)nnc1SCc1ccccc1)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
403.5
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.613
Distribution Coefficient, logD
4.613
Water Solubility, LogSw
-4.52
Polar Surface Area
39.973
Acid Dissociation Constant (pKa)
24.52
Base Dissociation Constant (pKb)
4.02
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.00
V002-6902 in Drug Discovery
Included in Screening Libraries
Cardiovascular Library (22201 compounds)
Included in 1.7M Stock Database
- Cardiovascular
References: we are preparing a list of scientific research reports with V002-6902 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of V002-6902, 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.
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)