T408-0359 Screening compound: N-(3,5-dimethylphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-0359 Screening compound: N-(3,5-dimethylphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-0359 Screening compound: N-(3,5-dimethylphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0359
N-(3,5-dimethylphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

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

T408-0359

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

N-(3,5-dimethylphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

N-(35-dimethylphenyl)-2-(morpholine-4-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

Cc1cc(NC(C(CC2)Cc3c2sc(C(N2CCOCC2)=O)c3)=O)cc(C)c1

InChI

InChI=1S/C22H26N2O3S/c1-14-9-15(2)11-18(10-14)23-21(25)16-3-4-19-17(12-16)13-20(28-19)22(26)24-5-7-27-8-6-24/h9-11,13,16H,3-8,12H2,1-2H3,(H,23,25)/t16-/m1/s1

InChI Key

RZDIBWBPUKEEQR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27620046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.60

Polar Surface Area

48.825

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

T408-0359 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0359?
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What is the minimum amount of T408-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0359
  • 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 T408-0359 available by request