T408-0997 Screening compound: N2,N2-dimethyl-N5-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-0997 Screening compound: N2,N2-dimethyl-N5-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-0997 Screening compound: N2,N2-dimethyl-N5-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0997
N2,N2-dimethyl-N5-[(2-methylphenyl)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

T408-0997

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

N2,N2-dimethyl-N5-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N2N2-dimethyl-N5-[(2-methylphenyl)methyl]-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

Cc1c(CNC(C(CC2)Cc3c2sc(C(N(C)C)=O)c3)=O)cccc1

InChI

InChI=1S/C20H24N2O2S/c1-13-6-4-5-7-15(13)12-21-19(23)14-8-9-17-16(10-14)11-18(25-17)20(24)22(2)3/h4-7,11,14H,8-10,12H2,1-3H3,(H,21,23)/t14-/m1/s1

InChI Key

YCKFCLZNPKOQMF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27620227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

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

3.165

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.19

Polar Surface Area

41.591

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T408-0997 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0997?
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What is the minimum amount of T408-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0997
  • 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 T408-0997 available by request