Y500-6738 Screening compound: 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide
Chemical Structure Depiction of ChemDiv screening compound Y500-6738
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide
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
Y500-6738
Molecular Formula
C26H24F3N3O2 (C26 H24 F3 N3 O2)
Compound Name
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide
IUPAC name
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5H6H7H8H9H-cyclohepta[b]pyridine-3-carbonitrile
SMILES
COc(cc(cc1)-c(c(CCCCC2)c2nc2N)c2C#N)c1OCc1cccc(C(F)(F)F)c1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
467.49
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.733
Distribution Coefficient, logD
5.733
Water Solubility, LogSw
-5.69
Polar Surface Area
63.033
Acid Dissociation Constant (pKa)
18.94
Base Dissociation Constant (pKb)
4.11
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.77
References: we are preparing a list of scientific research reports with Y500-6738 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)