T408-0670 Screening compound: 1-(1-methylpiperidin-4-yl)-4-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperazine

T408-0670 Screening compound: 1-(1-methylpiperidin-4-yl)-4-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperazine
T408-0670 Screening compound: 1-(1-methylpiperidin-4-yl)-4-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0670
1-(1-methylpiperidin-4-yl)-4-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]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

T408-0670

Molecular Formula

C24H36N4O2S (C24 H36 N4 O2 S)

Compound Name

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

IUPAC name

1-(1-methylpiperidin-4-yl)-4-[2-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carbonyl]piperazine

SMILES

CN(CC1)CCC1N(CC1)CCN1C(C(CC1)Cc2c1sc(C(N1CCCC1)=O)c2)=O

InChI

InChI=1S/C24H36N4O2S/c1-25-10-6-20(7-11-25)26-12-14-28(15-13-26)23(29)18-4-5-21-19(16-18)17-22(31-21)24(30)27-8-2-3-9-27/h17-18,20H,2-16H2,1H3/t18-/m1/s1

InChI Key

ZWJIQFQJIZOOFG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27620164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

0.710

Water Solubility, LogSw

-2.47

Polar Surface Area

41.410

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

T408-0670 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0670?
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What is the minimum amount of T408-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0670
  • 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 T408-0670 available by request