T408-0145 Screening compound: 2-(4-methylpiperidine-1-carbonyl)-N-[3-(piperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-0145 Screening compound: 2-(4-methylpiperidine-1-carbonyl)-N-[3-(piperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-0145 Screening compound: 2-(4-methylpiperidine-1-carbonyl)-N-[3-(piperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0145
2-(4-methylpiperidine-1-carbonyl)-N-[3-(piperidin-1-yl)propyl]-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

T408-0145

Molecular Formula

C24H37N3O2S (C24 H37 N3 O2 S)

Compound Name

2-(4-methylpiperidine-1-carbonyl)-N-[3-(piperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

2-(4-methylpiperidine-1-carbonyl)-N-[3-(piperidin-1-yl)propyl]-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

CC(CC1)CCN1C(c1cc(CC(CC2)C(NCCCN3CCCCC3)=O)c2s1)=O

InChI

InChI=1S/C24H37N3O2S/c1-18-8-14-27(15-9-18)24(29)22-17-20-16-19(6-7-21(20)30-22)23(28)25-10-5-13-26-11-3-2-4-12-26/h17-19H,2-16H2,1H3,(H,25,28)/t19-/m1/s1

InChI Key

YFINWRBRGUHHKI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27620009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-3.64

Polar Surface Area

46.063

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

T408-0145 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 T408-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0145?
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What is the minimum amount of T408-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0145
  • 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 T408-0145 available by request