T408-1013 Screening compound: N,N-dimethyl-N-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-1013 Screening compound: N,N-dimethyl-N-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-1013 Screening compound: N,N-dimethyl-N-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1013
N,N-dimethyl-N-[2-(4-pyridyl)ethyl]-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

T408-1013

Molecular Formula

C19H23N3O2S (C19 H23 N3 O2 S)

Compound Name

N,N-dimethyl-N-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N2N2-dimethyl-N5-[2-(pyridin-4-yl)ethyl]-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

CN(C)C(c1cc(CC(CC2)C(NCCc3ccncc3)=O)c2s1)=O

InChI

InChI=1S/C19H23N3O2S/c1-22(2)19(24)17-12-15-11-14(3-4-16(15)25-17)18(23)21-10-7-13-5-8-20-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,21,23)/t14-/m1/s1

InChI Key

MBODTRBPTJEYMD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27620233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.094

Distribution Coefficient, logD

1.049

Water Solubility, LogSw

-2.01

Polar Surface Area

50.861

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

T408-1013 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1013?
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What is the minimum amount of T408-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1013
  • 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 T408-1013 available by request