2576-4140 Screening compound: 2-(ethylsulfanyl)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2576-4140 Screening compound: 2-(ethylsulfanyl)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2576-4140 Screening compound: 2-(ethylsulfanyl)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2576-4140
2-(ethylsulfanyl)ethyl 4-[4-(diethylamino)phenyl]-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

2576-4140

Molecular Formula

C25H34N2O3S (C25 H34 N2 O3 S)

Compound Name

2-(ethylsulfanyl)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(ethylsulfanyl)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCN(CC)c1ccc(C2C(C(CCC3)=O)=C3NC(C)=C2C(OCCSCC)=O)cc1

InChI

InChI=1S/C25H34N2O3S/c1-5-27(6-2)19-13-11-18(12-14-19)23-22(25(29)30-15-16-31-7-3)17(4)26-20-9-8-10-21(28)24(20)23/h11-14,23,26H,5-10,15-16H2,1-4H3/t23-/m0/s1

InChI Key

IVWRDCMXXZSZPF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01571910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

0.656

Water Solubility, LogSw

-4.38

Polar Surface Area

47.705

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

2576-4140 in Drug Discovery

Included in Screening Libraries

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 2576-4140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2576-4140?
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What is the minimum amount of 2576-4140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2576-4140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2576-4140
  • 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 2576-4140 available by request