8014-3521 Screening compound: 2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8014-3521 Screening compound: 2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8014-3521 Screening compound: 2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3521
2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-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

8014-3521

Molecular Formula

C34H37NO7S (C34 H37 NO7 S)

Compound Name

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

IUPAC name

2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(ccc(C(C1)CC(NC(C)=C(C2C3=COc(ccc(C)c4)c4C3=O)C(OCCSCC)=O)=C2C1=O)c1)c1OC

InChI

InChI=1S/C34H37NO7S/c1-6-40-28-11-9-21(17-29(28)39-5)22-15-25-32(26(36)16-22)31(30(20(4)35-25)34(38)41-12-13-43-7-2)24-18-42-27-10-8-19(3)14-23(27)33(24)37/h8-11,14,17-18,22,31,35H,6-7,12-13,15-16H2,1-5H3

InChI Key

LBNSWCUCWBAHCQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.74

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

0.869

Water Solubility, LogSw

-5.42

Polar Surface Area

80.431

Acid Dissociation Constant (pKa)

2.73

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.20

References: we are preparing a list of scientific research reports with 8014-3521 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8014-3521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3521
  • 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 8014-3521 available by request