3285-2567 Screening compound: 4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
Chemical Structure Depiction of ChemDiv screening compound 3285-2567
4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
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
3285-2567
Molecular Formula
C13H9Cl4NO4S (C13 H9 Cl4 NO4 S)
Compound Name
4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
IUPAC name
4-(methylsulfanyl)-2-(4567-tetrachloro-13-dioxo-23-dihydro-1H-isoindol-2-yl)butanoic acid
SMILES
CSCCC(C(O)=O)N(C(c(c1c(c(Cl)c2Cl)Cl)c2Cl)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.1
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.696
Distribution Coefficient, logD
-1.462
Water Solubility, LogSw
-3.78
Polar Surface Area
57.096
Acid Dissociation Constant (pKa)
3.24
Base Dissociation Constant (pKb)
-11.88
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
30.80
References: we are preparing a list of scientific research reports with 3285-2567 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)