V014-6226 Screening compound: 3-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-3-(1H-indol-3-yl)propanamide
Chemical Structure Depiction of ChemDiv screening compound V014-6226
3-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-3-(1H-indol-3-yl)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
V014-6226
Molecular Formula
C29H26N2O3 (C29 H26 N2 O3)
Compound Name
3-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-3-(1H-indol-3-yl)propanamide
IUPAC name
3-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-3-(1H-indol-3-yl)propanamide
SMILES
O=C(CC(c1c[nH]c2c1cccc2)c(cc1)ccc1OCc1ccccc1)NCc1ccco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
450.54
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.835
Distribution Coefficient, logD
5.835
Water Solubility, LogSw
-6.20
Polar Surface Area
49.014
Acid Dissociation Constant (pKa)
11.82
Base Dissociation Constant (pKb)
-2.46
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
13.80
V014-6226 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Indole Derivatives (10091 compounds)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Included in 1.7M Stock Database
- Cyclic compounds
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with V014-6226 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of V014-6226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)