C158-0002 Screening compound: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2,4-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C158-0002 Screening compound: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2,4-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C158-0002 Screening compound: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2,4-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C158-0002
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2,4-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

C158-0002

Molecular Formula

C24H27Cl2NO5S (C24 H27 Cl2 NO5 S)

Compound Name

3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2,4-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(24-dichlorophenyl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCSCCOC(C(C1c(ccc(Cl)c2)c2Cl)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C24H27Cl2NO5S/c1-5-33-9-8-32-24(30)19-13(3)27-17-10-12(2)18(23(29)31-4)22(28)21(17)20(19)15-7-6-14(25)11-16(15)26/h6-7,11-12,18,20,27H,5,8-10H2,1-4H3

InChI Key

LRNVPKNWZXOBIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04221603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.500

Distribution Coefficient, logD

1.829

Water Solubility, LogSw

-5.93

Polar Surface Area

66.041

Acid Dissociation Constant (pKa)

3.73

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.80

C158-0002 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C158-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C158-0002?
Check Price and Availability of C158-0002, 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.
What is the minimum amount of C158-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C158-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C158-0002
  • 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 C158-0002 available by request