4737-7391 Screening compound: 2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4737-7391 Screening compound: 2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4737-7391 Screening compound: 2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4737-7391
2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-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

4737-7391

Molecular Formula

C25H26N2O6S (C25 H26 N2 O6 S)

Compound Name

2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

Cc(ccc(C1C(C(CC(C2)c3cccs3)=O)=C2NC(C)=C1C(OCCOC)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C25H26N2O6S/c1-14-6-7-16(12-19(14)27(30)31)23-22(25(29)33-9-8-32-3)15(2)26-18-11-17(13-20(28)24(18)23)21-5-4-10-34-21/h4-7,10,12,17,23,26H,8-9,11,13H2,1-3H3

InChI Key

DUXBUVLTCXRQTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

-0.314

Water Solubility, LogSw

-4.20

Polar Surface Area

87.139

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

4737-7391 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4737-7391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4737-7391?
Check Price and Availability of 4737-7391, 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 4737-7391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4737-7391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4737-7391
  • 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 4737-7391 available by request