V008-2014 Screening compound: 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-[3-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of ChemDiv screening compound V008-2014
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-[3-(trifluoromethyl)phenyl]propanamide
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
V008-2014
Molecular Formula
C26H31F3N2O (C26 H31 F3 N2 O)
Compound Name
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-[3-(trifluoromethyl)phenyl]propanamide
IUPAC name
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILES
CCCCCCNC(CC(c1c[nH]c2c1cccc2CC)c1cccc(C(F)(F)F)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
444.54
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
7.079
Distribution Coefficient, logD
7.079
Water Solubility, LogSw
-6.05
Polar Surface Area
34.921
Acid Dissociation Constant (pKa)
13.85
Base Dissociation Constant (pKb)
4.17
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
42.30
V008-2014 in Drug Discovery
Included in Screening Libraries
Glucocorticoid receptors Library (4806 compounds)
Indole Derivatives (10091 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Nuclear receptors
- Receptor's ligands
- Cyclic compounds
References: we are preparing a list of scientific research reports with V008-2014 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)