D487-0199 Screening compound: 3-cyclohexyl-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
Chemical Structure Depiction of ChemDiv screening compound D487-0199
3-cyclohexyl-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
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
D487-0199
Molecular Formula
C23H29N3O3S (C23 H29 N3 O3 S)
Compound Name
3-cyclohexyl-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
IUPAC name
3-cyclohexyl-N-[4-(3-oxo-4-propyl-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]propanamide
SMILES
CCCN1c(cc(cc2)-c3csc(NC(CCC4CCCCC4)=O)n3)c2OCC1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
427.57
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.294
Distribution Coefficient, logD
5.294
Water Solubility, LogSw
-5.31
Polar Surface Area
57.163
Acid Dissociation Constant (pKa)
11.56
Base Dissociation Constant (pKb)
-0.48
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.20
D487-0199 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
SmartTM Library (51161 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Epigenetics Focused Set (26518 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- GPCR
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with D487-0199 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)