2138-0004 Screening compound: 2-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide
Chemical Structure Depiction of ChemDiv screening compound 2138-0004
2-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide
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
2138-0004
Molecular Formula
C10H10N4O2S (C10 H10 N4 O2 S)
Compound Name
2-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide
IUPAC name
3-[1-(11-dioxo-1lambda62-benzothiazol-3-yl)hydrazin-1-yl]propanenitrile
SMILES
NN(CCC#N)C(c1c2cccc1)=NS2(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
250.28
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
-0.257
Distribution Coefficient, logD
-0.257
Water Solubility, LogSw
-2.11
Polar Surface Area
78.103
Acid Dissociation Constant (pKa)
21.83
Base Dissociation Constant (pKb)
0.71
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
2138-0004 in Drug Discovery
Included in Screening Libraries
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 2138-0004 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)