V006-5778 Screening compound: 3-({8-[4-({[(2,4,6-trimethylphenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound V006-5778
3-({8-[4-({[(2,4,6-trimethylphenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
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
V006-5778
Molecular Formula
C32H34N2O2S (C32 H34 N2 O2 S)
Compound Name
3-({8-[4-({[(2,4,6-trimethylphenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
IUPAC name
3-({8-[4-({[(246-trimethylphenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
SMILES
Cc1cc(C)c(CSCc(cc2)ccc2C(N(C(CC2)C3)C2CC3Oc2cc(C#N)ccc2)=O)c(C)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
510.7
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.531
Distribution Coefficient, logD
5.531
Water Solubility, LogSw
-5.49
Polar Surface Area
38.805
Acid Dissociation Constant (pKa)
23.88
Base Dissociation Constant (pKb)
-6.36
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
37.50
References: we are preparing a list of scientific research reports with V006-5778 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)