V009-0973 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of ChemDiv screening compound V009-0973
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-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
V009-0973
Molecular Formula
C24H29N3O3S (C24 H29 N3 O3 S)
Compound Name
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
IUPAC name
4-cyclohexyl-3-(35-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-124-triazole
SMILES
COc1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2C2CCCCC2)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
439.58
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.360
Distribution Coefficient, logD
5.360
Water Solubility, LogSw
-5.29
Polar Surface Area
47.177
Acid Dissociation Constant (pKa)
17.61
Base Dissociation Constant (pKb)
4.83
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
V009-0973 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-infective Library (19449 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with V009-0973 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of V009-0973, 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)