S632-4253 Screening compound: N-methyl-4-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S632-4253
N-methyl-4-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-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
S632-4253
Molecular Formula
C17H25N3O2S (C17 H25 N3 O2 S)
Compound Name
N-methyl-4-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
IUPAC name
N-methyl-4-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILES
Cc1ccc(C(N(CC2)CC2C(CC2)CCN2C(NC)=O)=O)s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
335.47
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.566
Distribution Coefficient, logD
2.566
Water Solubility, LogSw
-2.70
Polar Surface Area
45.146
Acid Dissociation Constant (pKa)
16.65
Base Dissociation Constant (pKb)
2.23
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
64.70
S632-4253 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S632-4253 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)