E157-8173 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(5-{[(furan-2-yl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of ChemDiv screening compound E157-8173
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(5-{[(furan-2-yl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide
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
E157-8173
Molecular Formula
C18H15N5O6S2 (C18 H15 N5 O6 S2)
Compound Name
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(5-{[(furan-2-yl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide
IUPAC name
2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(5-{[(furan-2-yl)methyl](methyl)sulfamoyl}-134-thiadiazol-2-yl)acetamide
SMILES
CN(Cc1ccco1)S(c1nnc(NC(CN(C(c2c3cccc2)=O)C3=O)=O)s1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
461.48
Hydrogen Bond Acceptors Count
14.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
2.005
Distribution Coefficient, logD
1.808
Water Solubility, LogSw
-2.95
Polar Surface Area
116.273
Acid Dissociation Constant (pKa)
7.64
Base Dissociation Constant (pKb)
-6.44
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
E157-8173 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with E157-8173 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)