V001-5720 Screening compound: 2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V001-5720
2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
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
V001-5720
Molecular Formula
C28H25ClF3N3O2 (C28 H25 ClF3 N3 O2)
Compound Name
2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
IUPAC name
2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-13-oxazole-4-carboxamide
SMILES
CC(c1ccccc1)NC(c1coc(CN(Cc2cc(C(F)(F)F)ccc2)Cc2cccc(Cl)c2)n1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
527.97
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.931
Distribution Coefficient, logD
5.931
Water Solubility, LogSw
-6.25
Polar Surface Area
45.661
Acid Dissociation Constant (pKa)
12.47
Base Dissociation Constant (pKb)
1.84
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
21.43
V001-5720 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Included in 1.7M Stock Database
- Nervous system
- GPCR
- Ion Channels
References: we are preparing a list of scientific research reports with V001-5720 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)