6203-0022 Screening compound: methyl 2-[(7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]-4-(methylsulfanyl)butanoate

6203-0022 Screening compound: methyl 2-[(7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]-4-(methylsulfanyl)butanoate
6203-0022 Screening compound: methyl 2-[(7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6203-0022
methyl 2-[(7,7-dimethyl-2,5-dioxo-1-phenyl-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

6203-0022

Molecular Formula

C24H28N2O5S (C24 H28 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(c2ccccc2)C(C(C(NC(CCSC)C(OC)=O)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C24H28N2O5S/c1-24(2)13-19-16(20(27)14-24)12-17(22(29)26(19)15-8-6-5-7-9-15)21(28)25-18(10-11-32-4)23(30)31-3/h5-9,12,18H,10-11,13-14H2,1-4H3,(H,25,28)/t18-/m0/s1

InChI Key

XHRGGNHVBWBJKI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03992449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.60

Polar Surface Area

74.069

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

6203-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6203-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6203-0022?
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What is the minimum amount of 6203-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6203-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6203-0022
  • 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 6203-0022 available by request