6286-0477 Screening compound: 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazole
Chemical Structure Depiction of ChemDiv screening compound 6286-0477
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazole
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
6286-0477
Molecular Formula
C21H26N2O (C21 H26 N2 O)
Compound Name
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazole
IUPAC name
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-13-benzodiazole
SMILES
CC(C)c(ccc(C)c1)c1OCc1nc(cccc2)c2n1C(C)C
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
322.45
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.831
Distribution Coefficient, logD
5.831
Water Solubility, LogSw
-5.54
Polar Surface Area
19.804
Acid Dissociation Constant (pKa)
21.76
Base Dissociation Constant (pKb)
3.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.10
6286-0477 in Drug Discovery
Included in Screening Libraries
Targeted Diversity Library (40567 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 6286-0477 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)