S213-1620 Screening compound: 5-bromo-N-methyl-N-[(oxolan-3-yl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound S213-1620
5-bromo-N-methyl-N-[(oxolan-3-yl)methyl]thiophene-2-sulfonamide
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
S213-1620
Molecular Formula
C10H14BrNO3S2 (C10 H14 BrNO3 S2)
Compound Name
5-bromo-N-methyl-N-[(oxolan-3-yl)methyl]thiophene-2-sulfonamide
IUPAC name
5-bromo-N-methyl-N-[(oxolan-3-yl)methyl]thiophene-2-sulfonamide
SMILES
CN(CC1COCC1)S(c(s1)ccc1Br)(=O)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
340.26
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.394
Distribution Coefficient, logD
2.394
Water Solubility, LogSw
-2.55
Polar Surface Area
42.786
Acid Dissociation Constant (pKa)
25.29
Base Dissociation Constant (pKb)
-4.67
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
60.00
S213-1620 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Agro
- Agro
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S213-1620 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)