T408-1893 Screening compound: N2,N2-dimethyl-N5-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-1893 Screening compound: N2,N2-dimethyl-N5-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-1893 Screening compound: N2,N2-dimethyl-N5-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1893
N2,N2-dimethyl-N5-(3-methylphenyl)-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

T408-1893

Molecular Formula

C19H22N2O2S (C19 H22 N2 O2 S)

Compound Name

N2,N2-dimethyl-N5-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N2N2-dimethyl-N5-(3-methylphenyl)-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

Cc1cccc(NC(C(CC2)Cc3c2sc(C(N(C)C)=O)c3)=O)c1

InChI

InChI=1S/C19H22N2O2S/c1-12-5-4-6-15(9-12)20-18(22)13-7-8-16-14(10-13)11-17(24-16)19(23)21(2)3/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,20,22)/t13-/m1/s1

InChI Key

UESJUCIHOBECSA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27620301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.22

Polar Surface Area

40.269

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

T408-1893 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T408-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1893?
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What is the minimum amount of T408-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1893
  • 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 T408-1893 available by request