3607-5733 Screening compound: 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3607-5733 Screening compound: 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3607-5733 Screening compound: 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3607-5733
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-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

3607-5733

Molecular Formula

C24H31NO4S (C24 H31 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CCSCCOC(C(C1c(cccc2)c2OC(C)C)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C24H31NO4S/c1-5-30-14-13-28-24(27)21-16(4)25-18-10-8-11-19(26)23(18)22(21)17-9-6-7-12-20(17)29-15(2)3/h6-7,9,12,15,22,25H,5,8,10-11,13-14H2,1-4H3/t22-/m0/s1

InChI Key

NJZDZCSEIGJSNX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02104528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

0.619

Water Solubility, LogSw

-4.37

Polar Surface Area

51.858

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3607-5733 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 3607-5733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5733?
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What is the minimum amount of 3607-5733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5733
  • 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 3607-5733 available by request