T408-2113 Screening compound: 1-cyclopentyl-4-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperazine

T408-2113 Screening compound: 1-cyclopentyl-4-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperazine
T408-2113 Screening compound: 1-cyclopentyl-4-[2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2113
1-cyclopentyl-4-[2-(piperidine-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

T408-2113

Molecular Formula

C24H35N3O2S (C24 H35 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCCCC1)=O)c2)N(CC1)CCN1C1CCCC1

InChI

InChI=1S/C24H35N3O2S/c28-23(27-14-12-25(13-15-27)20-6-2-3-7-20)18-8-9-21-19(16-18)17-22(30-21)24(29)26-10-4-1-5-11-26/h17-18,20H,1-16H2/t18-/m1/s1

InChI Key

BWHJNDQNTJHOHP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27620452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.82

Polar Surface Area

37.933

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

T408-2113 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 T408-2113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2113?
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What is the minimum amount of T408-2113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2113
  • 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 T408-2113 available by request