2188-0602 Screening compound: 2,4-dichloro-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)benzamide
Chemical Structure Depiction of ChemDiv screening compound 2188-0602
2,4-dichloro-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)benzamide
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
2188-0602
Molecular Formula
C9H4Cl2N2OS3 (C9 H4 Cl2 N2 OS3)
Compound Name
2,4-dichloro-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)benzamide
IUPAC name
24-dichloro-N-(3-sulfanylidene-3H-124-dithiazol-5-yl)benzamide
SMILES
O=C(c(ccc(Cl)c1)c1Cl)NC(SS1)=NC1=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
323.25
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.417
Distribution Coefficient, logD
3.282
Water Solubility, LogSw
-4.14
Polar Surface Area
31.971
Acid Dissociation Constant (pKa)
7.84
Base Dissociation Constant (pKb)
3.46
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
2188-0602 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 2188-0602 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 2188-0602, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)