4673-0411 Screening compound: ethyl 2-[(E)-[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino]-4,5-dimethylthiophene-3-carboxylate

4673-0411 Screening compound: ethyl 2-[(E)-[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino]-4,5-dimethylthiophene-3-carboxylate
4673-0411 Screening compound: ethyl 2-[(E)-[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4673-0411
ethyl 2-[(E)-[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino]-4,5-dimethylthiophene-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

4673-0411

Molecular Formula

C18H23NO4S (C18 H23 NO4 S)

Compound Name

ethyl 2-[(E)-[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[(E)-[(44-dimethyl-26-dioxocyclohexyl)methylidene]amino]-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(/N=C/C(C(CC(C)(C)C2)=O)C2=O)sc(C)c1C)=O

InChI

InChI=1S/C18H23NO4S/c1-6-23-17(22)15-10(2)11(3)24-16(15)19-9-12-13(20)7-18(4,5)8-14(12)21/h9,12H,6-8H2,1-5H3

InChI Key

VUSYZTWJLNVIJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03063054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

0.984

Water Solubility, LogSw

-2.54

Polar Surface Area

55.602

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

4673-0411 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4673-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4673-0411?
Check Price and Availability of 4673-0411, 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 4673-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4673-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4673-0411
  • 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 4673-0411 available by request