8139-0292 Screening compound: 1-(4-propoxyphenyl)-3-{[1-(thiophene-2-carbonyl)piperidin-4-yl]amino}pyrrolidine-2,5-dione
Chemical Structure Depiction of ChemDiv screening compound 8139-0292
1-(4-propoxyphenyl)-3-{[1-(thiophene-2-carbonyl)piperidin-4-yl]amino}pyrrolidine-2,5-dione
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
8139-0292
Molecular Formula
C23H27N3O4S (C23 H27 N3 O4 S)
Compound Name
1-(4-propoxyphenyl)-3-{[1-(thiophene-2-carbonyl)piperidin-4-yl]amino}pyrrolidine-2,5-dione
IUPAC name
1-(4-propoxyphenyl)-3-{[1-(thiophene-2-carbonyl)piperidin-4-yl]amino}pyrrolidine-25-dione
SMILES
CCCOc(cc1)ccc1N(C(CC1NC(CC2)CCN2C(c2cccs2)=O)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
441.55
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.415
Distribution Coefficient, logD
2.404
Water Solubility, LogSw
-2.74
Polar Surface Area
65.527
Acid Dissociation Constant (pKa)
17.24
Base Dissociation Constant (pKb)
5.77
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
43.50
8139-0292 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with 8139-0292 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)