4686-0108 Screening compound: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]-2,3-dihydro-1H-isoindole-1,3-dione
Chemical Structure Depiction of ChemDiv screening compound 4686-0108
2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]-2,3-dihydro-1H-isoindole-1,3-dione
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
4686-0108
Molecular Formula
C17H12N2O3S2 (C17 H12 N2 O3 S2)
Compound Name
2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC name
2-[2-(13-benzothiazol-2-ylsulfanyl)ethoxy]-23-dihydro-1H-isoindole-13-dione
SMILES
O=C(c(cccc1)c1C1=O)N1OCCSc1nc(cccc2)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
356.43
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.824
Distribution Coefficient, logD
4.824
Water Solubility, LogSw
-4.91
Polar Surface Area
49.149
Acid Dissociation Constant (pKa)
26.15
Base Dissociation Constant (pKb)
1.23
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.80
References: we are preparing a list of scientific research reports with 4686-0108 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)