C119-0048 Screening compound: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(9-ethyl-9H-carbazol-3-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C119-0048 Screening compound: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(9-ethyl-9H-carbazol-3-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C119-0048 Screening compound: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(9-ethyl-9H-carbazol-3-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C119-0048
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(9-ethyl-9H-carbazol-3-yl)-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

C119-0048

Molecular Formula

C32H36N2O5S (C32 H36 N2 O5 S)

Compound Name

3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(9-ethyl-9H-carbazol-3-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(9-ethyl-9H-carbazol-3-yl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCn1c(ccc(C2C(C(C(C(C)C3)C(OC)=O)=O)=C3NC(C)=C2C(OCCSCC)=O)c2)c2c2c1cccc2

InChI

InChI=1S/C32H36N2O5S/c1-6-34-24-11-9-8-10-21(24)22-17-20(12-13-25(22)34)28-27(32(37)39-14-15-40-7-2)19(4)33-23-16-18(3)26(31(36)38-5)30(35)29(23)28/h8-13,17-18,26,28,33H,6-7,14-16H2,1-5H3

InChI Key

BNESVEPATFAYCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04057092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.114

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-5.65

Polar Surface Area

66.741

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.60

C119-0048 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C119-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C119-0048?
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What is the minimum amount of C119-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C119-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C119-0048
  • 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 C119-0048 available by request