Y500-6736 Screening compound: 2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide
Chemical Structure Depiction of ChemDiv screening compound Y500-6736
2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[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
Y500-6736
Molecular Formula
C27H29N3O2 (C27 H29 N3 O2)
Compound Name
2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide
IUPAC name
2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-5H6H7H8H9H10H-cycloocta[b]pyridine-3-carbonitrile
SMILES
Cc1ccc(COc(ccc(-c(c(CCCCCC2)c2nc2N)c2C#N)c2)c2OC)cc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
427.55
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.846
Distribution Coefficient, logD
5.846
Water Solubility, LogSw
-5.60
Polar Surface Area
63.033
Acid Dissociation Constant (pKa)
18.94
Base Dissociation Constant (pKb)
3.85
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.33
References: we are preparing a list of scientific research reports with Y500-6736 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)