D574-0153 Screening compound: 4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D574-0153
4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
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
D574-0153
Molecular Formula
C24H25F3N6O (C24 H25 F3 N6 O)
Compound Name
4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
IUPAC name
4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILES
Cc(cc1)ccc1Nc1nc(C)cc(N(CC2)CCN2C(Nc2cccc(C(F)(F)F)c2)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
470.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
6.062
Distribution Coefficient, logD
6.002
Water Solubility, LogSw
-5.60
Polar Surface Area
56.856
Acid Dissociation Constant (pKa)
11.62
Base Dissociation Constant (pKb)
6.57
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.20
D574-0153 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Anti-Inflammatory Library (24602 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- PPI modulators
References: we are preparing a list of scientific research reports with D574-0153 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)