3404-5394 Screening compound: 2-(ethylsulfanyl)ethyl 4-(9-ethyl-9H-carbazol-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3404-5394 Screening compound: 2-(ethylsulfanyl)ethyl 4-(9-ethyl-9H-carbazol-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3404-5394 Screening compound: 2-(ethylsulfanyl)ethyl 4-(9-ethyl-9H-carbazol-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3404-5394
2-(ethylsulfanyl)ethyl 4-(9-ethyl-9H-carbazol-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

3404-5394

Molecular Formula

C29H32N2O3S (C29 H32 N2 O3 S)

Compound Name

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

IUPAC name

2-(ethylsulfanyl)ethyl 4-(9-ethyl-9H-carbazol-3-yl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCn1c(ccc(C2C(C(CCC3)=O)=C3NC(C)=C2C(OCCSCC)=O)c2)c2c2c1cccc2

InChI

InChI=1S/C29H32N2O3S/c1-4-31-23-11-7-6-9-20(23)21-17-19(13-14-24(21)31)27-26(29(33)34-15-16-35-5-2)18(3)30-22-10-8-12-25(32)28(22)27/h6-7,9,11,13-14,17,27,30H,4-5,8,10,12,15-16H2,1-3H3/t27-/m0/s1

InChI Key

RKYFHYGIOFYIHC-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01988851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.016

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-5.63

Polar Surface Area

45.669

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

3404-5394 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3404-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3404-5394?
Check Price and Availability of 3404-5394, 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 3404-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3404-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3404-5394
  • 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 3404-5394 available by request