V013-5120 Screening compound: 3-(1-methyl-1H-indol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of ChemDiv screening compound V013-5120
3-(1-methyl-1H-indol-3-yl)-N-(2-phenylethyl)-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
V013-5120
Molecular Formula
C27H25F3N2O (C27 H25 F3 N2 O)
Compound Name
3-(1-methyl-1H-indol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
IUPAC name
3-(1-methyl-1H-indol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILES
Cn1c(cccc2)c2c(C(CC(NCCc2ccccc2)=O)c2cccc(C(F)(F)F)c2)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
450.5
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.323
Distribution Coefficient, logD
5.323
Water Solubility, LogSw
-5.63
Polar Surface Area
26.568
Acid Dissociation Constant (pKa)
13.37
Base Dissociation Constant (pKb)
-0.53
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
22.20
V013-5120 in Drug Discovery
Included in Screening Libraries
Indole Derivatives (10091 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cyclic compounds
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with V013-5120 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)