3096-0064 Screening compound: 11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of ChemDiv screening compound 3096-0064
11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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
3096-0064
Molecular Formula
C28H24ClFN2O2 (C28 H24 ClFN2 O2)
Compound Name
11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
IUPAC name
10-(2-chloro-6-fluorophenyl)-14-phenyl-9-propanoyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one
SMILES
CCC(N(C1c(c(F)ccc2)c2Cl)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
474.96
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
6.155
Distribution Coefficient, logD
5.976
Water Solubility, LogSw
-6.18
Polar Surface Area
38.637
Acid Dissociation Constant (pKa)
7.69
Base Dissociation Constant (pKb)
-2.71
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
21.40
3096-0064 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 3096-0064 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)