T408-2186 Screening compound: 2-(morpholine-4-carbonyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2186 Screening compound: 2-(morpholine-4-carbonyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2186 Screening compound: 2-(morpholine-4-carbonyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2186
2-(morpholine-4-carbonyl)-N-phenyl-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

T408-2186

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCOCC1)=O)c2)Nc1ccccc1

InChI

InChI=1S/C20H22N2O3S/c23-19(21-16-4-2-1-3-5-16)14-6-7-17-15(12-14)13-18(26-17)20(24)22-8-10-25-11-9-22/h1-5,13-14H,6-12H2,(H,21,23)/t14-/m1/s1

InChI Key

FQAWVWJZGUINIO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27620482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

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

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.16

Polar Surface Area

48.825

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T408-2186 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 T408-2186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2186?
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What is the minimum amount of T408-2186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2186
  • 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 T408-2186 available by request