8015-7582 Screening compound: diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

8015-7582 Screening compound: diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
8015-7582 Screening compound: diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7582
diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

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

8015-7582

Molecular Formula

C29H33NO5S2 (C29 H33 NO5 S2)

Compound Name

diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

IUPAC name

36-diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(thiophen-2-yl)-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCCC(NC(CC(C1C(OCC)=O)c2cccs2)=C(C2c(cc3)ccc3SC)C1=O)=C2C(OCC)=O

InChI

InChI=1S/C29H33NO5S2/c1-5-9-20-26(29(33)35-7-3)23(17-11-13-18(36-4)14-12-17)25-21(30-20)16-19(22-10-8-15-37-22)24(27(25)31)28(32)34-6-2/h8,10-15,19,23-24,30H,5-7,9,16H2,1-4H3

InChI Key

SCAHLAWCZOTXAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.286

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-5.48

Polar Surface Area

66.681

Acid Dissociation Constant (pKa)

2.86

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.38

References: we are preparing a list of scientific research reports with 8015-7582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7582?
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What is the minimum amount of 8015-7582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7582
  • 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 8015-7582 available by request