T408-0727 Screening compound: 1-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]-4-(pyridin-2-yl)piperazine

T408-0727 Screening compound: 1-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]-4-(pyridin-2-yl)piperazine
T408-0727 Screening compound: 1-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0727
1-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]-4-(pyridin-2-yl)piperazine

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

T408-0727

Molecular Formula

C24H30N4O2S (C24 H30 N4 O2 S)

Compound Name

1-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[2-(piperidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCCCC1)=O)c2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C24H30N4O2S/c29-23(28-14-12-26(13-15-28)22-6-2-3-9-25-22)18-7-8-20-19(16-18)17-21(31-20)24(30)27-10-4-1-5-11-27/h2-3,6,9,17-18H,1,4-5,7-8,10-16H2/t18-/m1/s1

InChI Key

AURZYTAUJBBFBK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27620174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-3.95

Polar Surface Area

46.246

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

T408-0727 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 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 T408-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0727?
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What is the minimum amount of T408-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0727
  • 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 T408-0727 available by request