4491-0981 Screening compound: N-(2,6-DIMETHYL-4-QUINOLYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]AMINE
Chemical Structure Depiction of ChemDiv screening compound 4491-0981
N-(2,6-DIMETHYL-4-QUINOLYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]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
4491-0981
Molecular Formula
C18H15F3N2 (C18 H15 F3 N2)
Compound Name
N-(2,6-DIMETHYL-4-QUINOLYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]AMINE
IUPAC name
n/a
SMILES
Cc(cc12)ccc1nc(C)cc2Nc1cccc(C(F)(F)F)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
316.33
Hydrogen Bond Acceptors Count
1.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
6.037
Distribution Coefficient, logD
4.514
Water Solubility, LogSw
-5.94
Polar Surface Area
16.590
Acid Dissociation Constant (pKa)
16.38
Base Dissociation Constant (pKb)
8.91
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
3.00
4491-0981 in Drug Discovery
Included in Screening Libraries
Antibacterial Compounds Library (13827 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with 4491-0981 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)