V005-5433 Screening compound: 2-ethyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-(propan-2-yl)hexanamide
Chemical Structure Depiction of ChemDiv screening compound V005-5433
2-ethyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-(propan-2-yl)hexanamide
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
V005-5433
Molecular Formula
C31H43N3O2 (C31 H43 N3 O2)
Compound Name
2-ethyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-(propan-2-yl)hexanamide
IUPAC name
2-ethyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-(propan-2-yl)hexanamide
SMILES
CCCCC(CC)C(N(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C)cc1)=O)C(C)C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
489.7
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
15.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.515
Distribution Coefficient, logD
6.515
Water Solubility, LogSw
-5.84
Polar Surface Area
41.998
Acid Dissociation Constant (pKa)
18.49
Base Dissociation Constant (pKb)
3.36
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
48.40
V005-5433 in Drug Discovery
Included in Screening Libraries
Indole Derivatives (10091 compounds)
Included in 1.7M Stock Database
- Cyclic compounds
References: we are preparing a list of scientific research reports with V005-5433 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)