J029-2215 Screening compound: ethyl 4-cyano-3-methyl-5-[1-(4-methylphenyl)cyclopentaneamido]thiophene-2-carboxylate

J029-2215 Screening compound: ethyl 4-cyano-3-methyl-5-[1-(4-methylphenyl)cyclopentaneamido]thiophene-2-carboxylate
J029-2215 Screening compound: ethyl 4-cyano-3-methyl-5-[1-(4-methylphenyl)cyclopentaneamido]thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-2215
ethyl 4-cyano-3-methyl-5-[1-(4-methylphenyl)cyclopentaneamido]thiophene-2-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

J029-2215

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

ethyl 4-cyano-3-methyl-5-[1-(4-methylphenyl)cyclopentaneamido]thiophene-2-carboxylate

IUPAC name

ethyl 4-cyano-3-methyl-5-[1-(4-methylphenyl)cyclopentaneamido]thiophene-2-carboxylate

SMILES

CCOC(c1c(C)c(C#N)c(NC(C2(CCCC2)c2ccc(C)cc2)=O)s1)=O

InChI

InChI=1S/C22H24N2O3S/c1-4-27-20(25)18-15(3)17(13-23)19(28-18)24-21(26)22(11-5-6-12-22)16-9-7-14(2)8-10-16/h7-10H,4-6,11-12H2,1-3H3,(H,24,26)

InChI Key

CNWSZVOCIKJUDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.893

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-4.57

Polar Surface Area

61.220

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

J029-2215 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with J029-2215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-2215?
Check Price and Availability of J029-2215, 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 J029-2215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-2215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-2215
  • 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 J029-2215 available by request