2110-0178 Screening compound: N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Chemical Structure Depiction of ChemDiv screening compound 2110-0178
N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
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
2110-0178
Molecular Formula
C18H13N3O5S2 (C18 H13 N3 O5 S2)
Compound Name
N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
IUPAC name
N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-4-nitrobenzamide
SMILES
COc1c(/C=C(/C(N2NC(c(cc3)ccc3[N+]([O-])=O)=O)=O)\SC2=S)cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
415.45
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.335
Distribution Coefficient, logD
3.298
Water Solubility, LogSw
-3.90
Polar Surface Area
83.856
Acid Dissociation Constant (pKa)
8.45
Base Dissociation Constant (pKb)
0.11
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.60
2110-0178 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 2110-0178 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)