V010-9176 Screening compound: 3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of ChemDiv screening compound V010-9176
3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]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
V010-9176
Molecular Formula
C22H15F3N4O2S (C22 H15 F3 N4 O2 S)
Compound Name
3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
IUPAC name
3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazole
SMILES
[O-][N+](c(cc1)ccc1-c(n1-c2ccccc2)nnc1SCc1cc(C(F)(F)F)ccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
456.45
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.951
Distribution Coefficient, logD
5.951
Water Solubility, LogSw
-6.42
Polar Surface Area
58.094
Acid Dissociation Constant (pKa)
24.52
Base Dissociation Constant (pKb)
1.99
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
9.09
V010-9176 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with V010-9176 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)