T408-2094 Screening compound: 2-(piperidine-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2094 Screening compound: 2-(piperidine-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2094 Screening compound: 2-(piperidine-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2094
2-(piperidine-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-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

T408-2094

Molecular Formula

C22H30N4O2S (C22 H30 N4 O2 S)

Compound Name

2-(piperidine-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

2-(piperidine-1-carbonyl)-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

Cc1c(CNC(C(CC2)Cc3c2sc(C(N2CCCCC2)=O)c3)=O)c(C)nn1C

InChI

InChI=1S/C22H30N4O2S/c1-14-18(15(2)25(3)24-14)13-23-21(27)16-7-8-19-17(11-16)12-20(29-19)22(28)26-9-5-4-6-10-26/h12,16H,4-11,13H2,1-3H3,(H,23,27)/t16-/m1/s1

InChI Key

WGCXSIMAPONTHJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27620441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.65

Polar Surface Area

57.078

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

T408-2094 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 T408-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2094?
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What is the minimum amount of T408-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2094
  • 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 T408-2094 available by request