D011-4280 Screening compound: 3-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol
Chemical Structure Depiction of ChemDiv screening compound D011-4280
3-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol
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
D011-4280
Molecular Formula
C20H24N2O (C20 H24 N2 O)
Compound Name
3-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol
IUPAC name
3-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-13-benzodiazol-2-yl)propan-1-ol
SMILES
CC(C)c1ccc(Cn2c(cccc3)c3nc2CCCO)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
308.42
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.335
Distribution Coefficient, logD
4.331
Water Solubility, LogSw
-4.28
Polar Surface Area
27.799
Acid Dissociation Constant (pKa)
15.93
Base Dissociation Constant (pKb)
5.33
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.00
D011-4280 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Anti-Inflammatory Library (24602 compounds)
CORONAVIRUS Library (20774 compounds)
Cardiovascular Library (22201 compounds)
Targeted Diversity Library (40567 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Immune system
- Antiviral
- Infections
- Immune system
- Cardiovascular
- Nervous system
- Cardiovascular
- Epigenetic
- Ion Channels
References: we are preparing a list of scientific research reports with D011-4280 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)