K977-0382 Screening compound: 3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroquinoxalin-2-one
Chemical Structure Depiction of ChemDiv screening compound K977-0382
3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroquinoxalin-2-one
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
K977-0382
Molecular Formula
C30H31F3N4O4S (C30 H31 F3 N4 O4 S)
Compound Name
3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroquinoxalin-2-one
IUPAC name
3-{[(25-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1234-tetrahydroquinoxalin-2-one
SMILES
Cc1cc(CS(CC2Nc(ccc(C(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)=O)c3)c3NC2=O)(=O)=O)c(C)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
600.66
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.522
Distribution Coefficient, logD
4.522
Water Solubility, LogSw
-4.24
Polar Surface Area
85.307
Acid Dissociation Constant (pKa)
11.16
Base Dissociation Constant (pKb)
5.46
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
References: we are preparing a list of scientific research reports with K977-0382 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)