6203-0026 Screening compound: methyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}-4-(methylsulfanyl)butanoate

6203-0026 Screening compound: methyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}-4-(methylsulfanyl)butanoate
6203-0026 Screening compound: methyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6203-0026
methyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}-4-(methylsulfanyl)butanoate

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

6203-0026

Molecular Formula

C25H30N2O6S (C25 H30 N2 O6 S)

Compound Name

methyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}-4-(methylsulfanyl)butanoate

IUPAC name

methyl 2-{[1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinolin-3-yl]formamido}-4-(methylsulfanyl)butanoate

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2OC)C(C(C(NC(CCSC)C(OC)=O)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C25H30N2O6S/c1-25(2)13-20-17(21(28)14-25)12-18(22(29)26-19(10-11-34-5)24(31)33-4)23(30)27(20)15-6-8-16(32-3)9-7-15/h6-9,12,19H,10-11,13-14H2,1-5H3,(H,26,29)/t19-/m0/s1

InChI Key

ZVPKFLRBCZUMNQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02905619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-2.71

Polar Surface Area

81.613

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

6203-0026 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 6203-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6203-0026?
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What is the minimum amount of 6203-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6203-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6203-0026
  • 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 6203-0026 available by request