D577-0284 Screening compound: 1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(3-fluoro-4-methylphenyl)urea
Chemical Structure Depiction of ChemDiv screening compound D577-0284
1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(3-fluoro-4-methylphenyl)urea
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
D577-0284
Molecular Formula
C25H29FN6O (C25 H29 FN6 O)
Compound Name
1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(3-fluoro-4-methylphenyl)urea
IUPAC name
1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(3-fluoro-4-methylphenyl)urea
SMILES
Cc(ccc(NC(Nc(cc1)ccc1Nc1nc(NC2CCCCC2)nc(C)c1)=O)c1)c1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
448.54
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
4.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
6.871
Distribution Coefficient, logD
6.635
Water Solubility, LogSw
-5.53
Polar Surface Area
71.493
Acid Dissociation Constant (pKa)
11.63
Base Dissociation Constant (pKb)
7.26
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
32.00
D577-0284 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Lipid Metabolism Library (9174 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- 3D
- Cardiovascular
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with D577-0284 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)