T408-1942 Screening compound: N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-1942 Screening compound: N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-1942 Screening compound: N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1942
N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N2,N2-dimethyl-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

T408-1942

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

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

IUPAC name

N5-[(2H-13-benzodioxol-5-yl)methyl]-N2N2-dimethyl-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

CN(C)C(c1cc(CC(CC2)C(NCc(cc3)cc4c3OCO4)=O)c2s1)=O

InChI

InChI=1S/C20H22N2O4S/c1-22(2)20(24)18-9-14-8-13(4-6-17(14)27-18)19(23)21-10-12-3-5-15-16(7-12)26-11-25-15/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,21,23)/t13-/m1/s1

InChI Key

IIKILJLYXWCIMM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27620340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.93

Polar Surface Area

58.707

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T408-1942 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1942?
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What is the minimum amount of T408-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1942
  • 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 T408-1942 available by request