V007-3016 Screening compound: 3-[1-(2-chlorobenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole
Chemical Structure Depiction of ChemDiv screening compound V007-3016
3-[1-(2-chlorobenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole
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
V007-3016
Molecular Formula
C27H24ClF3N2O2S (C27 H24 ClF3 N2 O2 S)
Compound Name
3-[1-(2-chlorobenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole
IUPAC name
3-[1-(2-chlorobenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole
SMILES
O=S(c(cccc1)c1Cl)(N(CC1)CCC1c1cn(Cc2ccc(C(F)(F)F)cc2)c2c1cccc2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
533.01
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
6.424
Distribution Coefficient, logD
6.424
Water Solubility, LogSw
-6.50
Polar Surface Area
33.410
Acid Dissociation Constant (pKa)
24.95
Base Dissociation Constant (pKb)
-3.04
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.90
V007-3016 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Indole Derivatives (10091 compounds)
Included in 1.7M Stock Database
- Cyclic compounds
References: we are preparing a list of scientific research reports with V007-3016 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)