M371-0260 Screening compound: N-butyl-N,2-dimethyl-3-[(pyrrolidin-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound M371-0260
N-butyl-N,2-dimethyl-3-[(pyrrolidin-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-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
M371-0260
Molecular Formula
C18H27N3OS (C18 H27 N3 OS)
Compound Name
N-butyl-N,2-dimethyl-3-[(pyrrolidin-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
IUPAC name
N-butyl-N2-dimethyl-3-[(pyrrolidin-1-yl)methyl]-4H-thieno[32-b]pyrrole-5-carboxamide
SMILES
CCCCN(C)C(c1cc(sc(C)c2CN3CCCC3)c2[nH]1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
333.5
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.259
Distribution Coefficient, logD
1.258
Water Solubility, LogSw
-3.40
Polar Surface Area
31.875
Acid Dissociation Constant (pKa)
14.09
Base Dissociation Constant (pKb)
9.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
61.10
M371-0260 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- 3D
- PPI modulators
References: we are preparing a list of scientific research reports with M371-0260 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)