D399-0075 Screening compound: 6-{[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
Chemical Structure Depiction of ChemDiv screening compound D399-0075
6-{[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-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
D399-0075
Molecular Formula
C20H20ClN3O4S (C20 H20 ClN3 O4 S)
Compound Name
6-{[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl}-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
IUPAC name
6-{[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl}-14-dimethyl-1234-tetrahydroquinoxaline-23-dione
SMILES
CN(c(ccc(S(N(CCC1)C1c(cc1)ccc1Cl)(=O)=O)c1)c1N(C)C1=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
433.92
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.310
Distribution Coefficient, logD
2.310
Water Solubility, LogSw
-3.41
Polar Surface Area
62.874
Acid Dissociation Constant (pKa)
23.96
Base Dissociation Constant (pKb)
-4.06
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
30.00
D399-0075 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with D399-0075 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)