8104-04303 Screening compound: ({4-[(2-chlorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
Chemical Structure Depiction of ChemDiv screening compound 8104-04303
({4-[(2-chlorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
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
8104-04303
Molecular Formula
C18H20ClN5OS (C18 H20 ClN5 OS)
Compound Name
({4-[(2-chlorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
IUPAC name
({4-[(2-chlorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine
SMILES
Cn1nnnc1SCCNCc(cc1)ccc1OCc(cccc1)c1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
389.91
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.752
Distribution Coefficient, logD
-0.097
Water Solubility, LogSw
-3.53
Polar Surface Area
59.417
Acid Dissociation Constant (pKa)
25.04
Base Dissociation Constant (pKb)
10.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.80
8104-04303 in Drug Discovery
Included in Screening Libraries
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8104-04303 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)