4306-1039 Screening compound: 2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4306-1039 Screening compound: 2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4306-1039 Screening compound: 2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-1039
2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

4306-1039

Molecular Formula

C23H25N3O2S2 (C23 H25 N3 O2 S2)

Compound Name

2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-N-(5-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

Cc1cc(C2C(C(CCC3)=O)=C3NC(C)=C2C(Nc2ncc(C)cc2)=O)c(SC)s1

InChI

InChI=1S/C23H25N3O2S2/c1-12-8-9-18(24-11-12)26-22(28)19-14(3)25-16-6-5-7-17(27)21(16)20(19)15-10-13(2)30-23(15)29-4/h8-11,20,25H,5-7H2,1-4H3,(H,24,26,28)/t20-/m0/s1

InChI Key

DNMTVJMATFLCQQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03933885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.232

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-4.85

Polar Surface Area

57.735

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4306-1039 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4306-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-1039?
Check Price and Availability of 4306-1039, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4306-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-1039
  • 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 4306-1039 available by request