T408-0182 Screening compound: N2,N2-diethyl-N5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-0182 Screening compound: N2,N2-diethyl-N5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-0182 Screening compound: N2,N2-diethyl-N5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0182
N2,N2-diethyl-N5-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

T408-0182

Molecular Formula

C15H22N2O2S (C15 H22 N2 O2 S)

Compound Name

N2,N2-diethyl-N5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N2N2-diethyl-N5-methyl-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-4-17(5-2)15(19)13-9-11-8-10(14(18)16-3)6-7-12(11)20-13/h9-10H,4-8H2,1-3H3,(H,16,18)/t10-/m1/s1

InChI Key

MDZXDXRIDPMHNQ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD27620016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.43

Polar Surface Area

41.945

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

T408-0182 in Drug Discovery

Included in Screening Libraries

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

3D-Fragment Library (4274 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

Structure:
  • 3D
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T408-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0182?
Check Price and Availability of T408-0182, 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 T408-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0182
  • 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 T408-0182 available by request