D300-0002 Screening compound: 5-({4-[(cyclohexylamino)methyl]phenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
Chemical Structure Depiction of ChemDiv screening compound D300-0002
5-({4-[(cyclohexylamino)methyl]phenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
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
D300-0002
Molecular Formula
C23H29N3O2 (C23 H29 N3 O2)
Compound Name
5-({4-[(cyclohexylamino)methyl]phenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC name
5-({4-[(cyclohexylamino)methyl]phenoxy}methyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one
SMILES
CN(c(ccc(COc1ccc(CNC2CCCCC2)cc1)c1)c1N1C)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
379.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.793
Distribution Coefficient, logD
1.607
Water Solubility, LogSw
-3.98
Polar Surface Area
36.433
Acid Dissociation Constant (pKa)
26.77
Base Dissociation Constant (pKb)
9.58
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
43.50
D300-0002 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with D300-0002 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)