8602-0407 Screening compound: methyl 2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4-pentanamido-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8602-0407
methyl 2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4-pentanamido-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
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
8602-0407
Molecular Formula
C18H25F3N2O5 (C18 H25 F3 N2 O5)
Compound Name
methyl 2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4-pentanamido-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
IUPAC name
methyl 2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4-pentanamido-4-(trifluoromethyl)-45-dihydro-1H-pyrrole-3-carboxylate
SMILES
CCCCC(NC(C(F)(F)F)(C(C(OC)=O)=C(C)N1CC2OCCC2)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.4
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.783
Distribution Coefficient, logD
-0.655
Water Solubility, LogSw
-2.19
Polar Surface Area
70.860
Acid Dissociation Constant (pKa)
4.96
Base Dissociation Constant (pKb)
-4.20
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
72.20
8602-0407 in Drug Discovery
Included in Screening Libraries
Autophagy-Targeted Library (4564 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
References: we are preparing a list of scientific research reports with 8602-0407 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)