K832-2786 Screening compound: 4-[4-(5-bromo-2-fluorophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2-yl]phenyl methyl ether
Chemical Structure Depiction of ChemDiv screening compound K832-2786
4-[4-(5-bromo-2-fluorophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2-yl]phenyl methyl ether
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
K832-2786
Molecular Formula
C23H17BrFN3O (C23 H17 BrFN3 O)
Compound Name
4-[4-(5-bromo-2-fluorophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2-yl]phenyl methyl ether
IUPAC name
13-(5-bromo-2-fluorophenyl)-11-(4-methoxyphenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene
SMILES
COc(cc1)ccc1C(N1)=CC(c(cc(cc2)Br)c2F)n2c1nc1c2cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
450.31
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
6.497
Distribution Coefficient, logD
6.497
Water Solubility, LogSw
-5.88
Polar Surface Area
32.188
Acid Dissociation Constant (pKa)
12.02
Base Dissociation Constant (pKb)
0.71
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
8.70
K832-2786 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Kinases
References: we are preparing a list of scientific research reports with K832-2786 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)