4072-2521 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide

4072-2521 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
4072-2521 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2521
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide

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

4072-2521

Molecular Formula

C14H18N2OS (C14 H18 N2 OS)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc(sc1c2CCCC1)c2C#N)=O

InChI

InChI=1S/C14H18N2OS/c1-14(2,3)13(17)16-12-10(8-15)9-6-4-5-7-11(9)18-12/h4-7H2,1-3H3,(H,16,17)

InChI Key

UKENMJDIHMOPFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00838736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.268

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-3.52

Polar Surface Area

40.372

Acid Dissociation Constant (pKa)

5.80

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

4072-2521 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4072-2521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2521?
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What is the minimum amount of 4072-2521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2521
  • 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 4072-2521 available by request