8013-5910 Screening compound: 11-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of ChemDiv screening compound 8013-5910
11-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-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
8013-5910
Molecular Formula
C28H26ClFN2O4 (C28 H26 ClFN2 O4)
Compound Name
11-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
IUPAC name
10-(2-chloro-6-fluorophenyl)-14-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one
SMILES
COc1cc(C(C2)CC(Nc(cccc3)c3NC3c(c(F)ccc4)c4Cl)=C3C2=O)cc(OC)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
508.98
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.292
Distribution Coefficient, logD
5.284
Water Solubility, LogSw
-6.05
Polar Surface Area
59.454
Acid Dissociation Constant (pKa)
9.14
Base Dissociation Constant (pKb)
0.34
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
25.00
References: we are preparing a list of scientific research reports with 8013-5910 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)