S531-0204 Screening compound: 2-methyl-1-oxo-N-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S531-0204
2-methyl-1-oxo-N-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-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
S531-0204
Molecular Formula
C14H15N3O2S (C14 H15 N3 O2 S)
Compound Name
2-methyl-1-oxo-N-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
IUPAC name
2-methyl-1-oxo-N-[(thiophen-2-yl)methyl]-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide
SMILES
CN(C(Cn1c2ccc1)C(NCc1cccs1)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
289.36
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.012
Distribution Coefficient, logD
1.012
Water Solubility, LogSw
-2.15
Polar Surface Area
44.001
Acid Dissociation Constant (pKa)
13.26
Base Dissociation Constant (pKb)
-1.31
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
28.60
S531-0204 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S531-0204 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)