D665-1793 Screening compound: {[5-(2,4-dibromophenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine
Chemical Structure Depiction of ChemDiv screening compound D665-1793
{[5-(2,4-dibromophenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]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
D665-1793
Molecular Formula
C17H14Br2N2O (C17 H14 Br2 N2 O)
Compound Name
{[5-(2,4-dibromophenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine
IUPAC name
{[5-(24-dibromophenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine
SMILES
Brc(cc1)cc(Br)c1-c1ccc(CNCc2cnccc2)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
422.12
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.206
Distribution Coefficient, logD
4.062
Water Solubility, LogSw
-4.17
Polar Surface Area
29.092
Acid Dissociation Constant (pKa)
24.65
Base Dissociation Constant (pKb)
6.99
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.80
D665-1793 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with D665-1793 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)