8016-1441 Screening compound: methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)propanoate
Chemical Structure Depiction of ChemDiv screening compound 8016-1441
methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)propanoate
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
8016-1441
Molecular Formula
C19H20F3NO6 (C19 H20 F3 NO6)
Compound Name
methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyanilino)propanoate
IUPAC name
methyl 333-trifluoro-2-(4-hydroxy-35-dimethoxyphenyl)-2-[(2-methoxyphenyl)amino]propanoate
SMILES
COC(C(C(F)(F)F)(c(cc1OC)cc(OC)c1O)Nc(cccc1)c1OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
415.37
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.563
Distribution Coefficient, logD
3.558
Water Solubility, LogSw
-3.65
Polar Surface Area
68.710
Acid Dissociation Constant (pKa)
9.32
Base Dissociation Constant (pKb)
-0.16
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.58
8016-1441 in Drug Discovery
Included in Screening Libraries
Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8016-1441 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 8016-1441, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)