8017-3968 Screening compound: 4-(5,8-dimethoxy-4-methyl-2-quinolyl)tetrahydro-1-pyrazinyl [1-(methylsulfonyl)-1,2,3,4-tetrahydro-6-quinolinyl] sulfone

8017-3968 Screening compound: 4-(5,8-dimethoxy-4-methyl-2-quinolyl)tetrahydro-1-pyrazinyl [1-(methylsulfonyl)-1,2,3,4-tetrahydro-6-quinolinyl] sulfone
8017-3968 Screening compound: 4-(5,8-dimethoxy-4-methyl-2-quinolyl)tetrahydro-1-pyrazinyl [1-(methylsulfonyl)-1,2,3,4-tetrahydro-6-quinolinyl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3968
4-(5,8-dimethoxy-4-methyl-2-quinolyl)tetrahydro-1-pyrazinyl [1-(methylsulfonyl)-1,2,3,4-tetrahydro-6-quinolinyl] sulfone

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

8017-3968

Molecular Formula

C26H32N4O6S2 (C26 H32 N4 O6 S2)

Compound Name

4-(5,8-dimethoxy-4-methyl-2-quinolyl)tetrahydro-1-pyrazinyl [1-(methylsulfonyl)-1,2,3,4-tetrahydro-6-quinolinyl] sulfone

IUPAC name

2-{4-[(1-methanesulfonyl-1234-tetrahydroquinolin-6-yl)sulfonyl]piperazin-1-yl}-58-dimethoxy-4-methylquinoline

SMILES

Cc(c1c(cc2)OC)cc(N(CC3)CCN3S(c(cc3)cc(CCC4)c3N4S(C)(=O)=O)(=O)=O)nc1c2OC

InChI

InChI=1S/C26H32N4O6S2/c1-18-16-24(27-26-23(36-3)10-9-22(35-2)25(18)26)28-12-14-29(15-13-28)38(33,34)20-7-8-21-19(17-20)6-5-11-30(21)37(4,31)32/h7-10,16-17H,5-6,11-15H2,1-4H3

InChI Key

IJFLZCRJRIIEFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.31

Polar Surface Area

89.952

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

8017-3968 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-3968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3968?
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What is the minimum amount of 8017-3968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3968
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8017-3968 available by request