8014-9381 Screening compound: 1-(3,5-dichlorophenyl)-7,7-dimethyl-4-(pyridin-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
Chemical Structure Depiction of ChemDiv screening compound 8014-9381
1-(3,5-dichlorophenyl)-7,7-dimethyl-4-(pyridin-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
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
8014-9381
Molecular Formula
C22H20Cl2N2O2 (C22 H20 Cl2 N2 O2)
Compound Name
1-(3,5-dichlorophenyl)-7,7-dimethyl-4-(pyridin-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
IUPAC name
1-(35-dichlorophenyl)-77-dimethyl-4-(pyridin-3-yl)-12345678-octahydroquinoline-25-dione
SMILES
CC(C)(C1)CC(N(C(CC2c3cnccc3)=O)c3cc(Cl)cc(Cl)c3)=C2C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
415.32
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.968
Distribution Coefficient, logD
3.967
Water Solubility, LogSw
-4.36
Polar Surface Area
38.104
Acid Dissociation Constant (pKa)
17.25
Base Dissociation Constant (pKb)
4.74
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.80
8014-9381 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Agro
- Agro
References: we are preparing a list of scientific research reports with 8014-9381 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)