T408-0190 Screening compound: N2,N2-diethyl-N5-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-0190 Screening compound: N2,N2-diethyl-N5-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-0190 Screening compound: N2,N2-diethyl-N5-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0190
N2,N2-diethyl-N5-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

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

T408-0190

Molecular Formula

C20H25N3O2S (C20 H25 N3 O2 S)

Compound Name

N2,N2-diethyl-N5-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N2N2-diethyl-N5-[(pyridin-3-yl)methyl]-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

CCN(CC)C(c1cc(CC(CC2)C(NCc3cnccc3)=O)c2s1)=O

InChI

InChI=1S/C20H25N3O2S/c1-3-23(4-2)20(25)18-11-16-10-15(7-8-17(16)26-18)19(24)22-13-14-6-5-9-21-12-14/h5-6,9,11-12,15H,3-4,7-8,10,13H2,1-2H3,(H,22,24)/t15-/m1/s1

InChI Key

JUYPOXLALZVQEA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27620018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

2.122

Water Solubility, LogSw

-2.36

Polar Surface Area

51.041

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

T408-0190 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0190?
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What is the minimum amount of T408-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0190
  • 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 T408-0190 available by request