C071-0355 Screening compound: 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(propan-2-yl)butanamide
Chemical Structure Depiction of ChemDiv screening compound C071-0355
4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(propan-2-yl)butanamide
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
C071-0355
Molecular Formula
C19H22F3N3O4S (C19 H22 F3 N3 O4 S)
Compound Name
4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(propan-2-yl)butanamide
IUPAC name
4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(propan-2-yl)butanamide
SMILES
CC(C)NC(CCCS(c1nc(-c(cccc2)c2OC)cc(C(F)(F)F)n1)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
445.46
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.523
Distribution Coefficient, logD
2.523
Water Solubility, LogSw
-3.13
Polar Surface Area
78.200
Acid Dissociation Constant (pKa)
14.53
Base Dissociation Constant (pKb)
-0.07
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.10
C071-0355 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS targets activity set (6557 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with C071-0355 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)