S400-0004 Screening compound: 2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine
Chemical Structure Depiction of ChemDiv screening compound S400-0004
2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine
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
S400-0004
Molecular Formula
C12H11N3O4S (C12 H11 N3 O4 S)
Compound Name
2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine
IUPAC name
2-[(2-methylphenyl)sulfanyl]-35-dinitro-14-dihydropyridine
SMILES
Cc(cccc1)c1SC(NC=C(C1)[N+]([O-])=O)=C1[N+]([O-])=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
293.3
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.557
Distribution Coefficient, logD
-0.564
Water Solubility, LogSw
-2.55
Polar Surface Area
77.760
Acid Dissociation Constant (pKa)
4.28
Base Dissociation Constant (pKb)
-5.86
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
References: we are preparing a list of scientific research reports with S400-0004 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)