T408-2155 Screening compound: 2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2155 Screening compound: 2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2155 Screening compound: 2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2155
2-(azepane-1-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

T408-2155

Molecular Formula

C16H22N2O2S (C16 H22 N2 O2 S)

Compound Name

2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

n/a

SMILES

NC(C(CC1)Cc2c1sc(C(N1CCCCCC1)=O)c2)=O

InChI

InChI=1S/C16H22N2O2S/c17-15(19)11-5-6-13-12(9-11)10-14(21-13)16(20)18-7-3-1-2-4-8-18/h10-11H,1-9H2,(H2,17,19)/t11-/m1/s1

InChI Key

JUHNLAPXSGEAGT-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27620459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.542

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-2.68

Polar Surface Area

52.216

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

T408-2155 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with T408-2155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2155?
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What is the minimum amount of T408-2155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2155
  • 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 T408-2155 available by request