T409-0487 Screening compound: 2-(4-cyclobutanecarbonylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

T409-0487 Screening compound: 2-(4-cyclobutanecarbonylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
T409-0487 Screening compound: 2-(4-cyclobutanecarbonylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T409-0487
2-(4-cyclobutanecarbonylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-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

T409-0487

Molecular Formula

C22H28N4O2S2 (C22 H28 N4 O2 S2)

Compound Name

2-(4-cyclobutanecarbonylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

IUPAC name

2-(4-cyclobutanecarbonylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]-4567-tetrahydro-13-benzothiazole-6-carboxamide

SMILES

O=C(C1CCC1)N(CC1)CCN1c1nc(CCC(C2)C(NCc3cccs3)=O)c2s1

InChI

InChI=1S/C22H28N4O2S2/c27-20(23-14-17-5-2-12-29-17)16-6-7-18-19(13-16)30-22(24-18)26-10-8-25(9-11-26)21(28)15-3-1-4-15/h2,5,12,15-16H,1,3-4,6-11,13-14H2,(H,23,27)/t16-/m1/s1

InChI Key

OIKMGDWUZLJANG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29023831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.23

Polar Surface Area

57.344

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

T409-0487 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T409-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T409-0487?
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What is the minimum amount of T409-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T409-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T409-0487
  • 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 T409-0487 available by request