4223-6867 Screening compound: ethyl 2-cyclohexaneamido-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

4223-6867 Screening compound: ethyl 2-cyclohexaneamido-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
4223-6867 Screening compound: ethyl 2-cyclohexaneamido-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-6867
ethyl 2-cyclohexaneamido-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-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

4223-6867

Molecular Formula

C24H30N2O4S (C24 H30 N2 O4 S)

Compound Name

ethyl 2-cyclohexaneamido-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-cyclohexaneamido-5-[(25-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C2CCCCC2)=O)sc(C(Nc2c(C)ccc(C)c2)=O)c1C)=O

InChI

InChI=1S/C24H30N2O4S/c1-5-30-24(29)19-16(4)20(22(28)25-18-13-14(2)11-12-15(18)3)31-23(19)26-21(27)17-9-7-6-8-10-17/h11-13,17H,5-10H2,1-4H3,(H,25,28)(H,26,27)

InChI Key

CBBBJPUYQZRWLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-4.42

Polar Surface Area

66.463

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

4223-6867 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4223-6867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-6867?
Check Price and Availability of 4223-6867, 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 4223-6867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-6867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-6867
  • 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 4223-6867 available by request