4072-2629 Screening compound: N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-2-(2,6-dimethylphenoxy)acetamide

4072-2629 Screening compound: N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-2-(2,6-dimethylphenoxy)acetamide
4072-2629 Screening compound: N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-2-(2,6-dimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2629
N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-2-(2,6-dimethylphenoxy)acetamide

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

4072-2629

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-2-(2,6-dimethylphenoxy)acetamide

IUPAC name

N-{3-cyano-5577-tetramethyl-4H5H6H7H-thieno[23-c]pyridin-2-yl}-2-(26-dimethylphenoxy)acetamide

SMILES

CC(C)(C1)NC(C)(C)c2c1c(C#N)c(NC(COc1c(C)cccc1C)=O)s2

InChI

InChI=1S/C22H27N3O2S/c1-13-8-7-9-14(2)18(13)27-12-17(26)24-20-16(11-23)15-10-21(3,4)25-22(5,6)19(15)28-20/h7-9,25H,10,12H2,1-6H3,(H,24,26)

InChI Key

SBHSCPXQTMBAOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-4.79

Polar Surface Area

58.839

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4072-2629 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4072-2629 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4072-2629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2629
  • 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 4072-2629 available by request