5786-1084 Screening compound: 2-(3-bromophenyl)-1-(methoxymethyl)-1H-1,3-benzodiazole
Chemical Structure Depiction of ChemDiv screening compound 5786-1084
2-(3-bromophenyl)-1-(methoxymethyl)-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
5786-1084
Molecular Formula
C15H13BrN2O (C15 H13 BrN2 O)
Compound Name
2-(3-bromophenyl)-1-(methoxymethyl)-1H-1,3-benzodiazole
IUPAC name
2-(3-bromophenyl)-1-(methoxymethyl)-1H-13-benzodiazole
SMILES
COCn1c(-c2cccc(Br)c2)nc2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
317.19
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.712
Distribution Coefficient, logD
4.710
Water Solubility, LogSw
-4.55
Polar Surface Area
19.066
Acid Dissociation Constant (pKa)
24.17
Base Dissociation Constant (pKb)
4.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.30
5786-1084 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human GPCR Annotated Library (5539 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Nervous system
- Ion Channels
- Agro
References: we are preparing a list of scientific research reports with 5786-1084 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)