T409-0122 Screening compound: 2-(4-acetylpiperazin-1-yl)-N-(4-methoxy-2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

T409-0122 Screening compound: 2-(4-acetylpiperazin-1-yl)-N-(4-methoxy-2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
T409-0122 Screening compound: 2-(4-acetylpiperazin-1-yl)-N-(4-methoxy-2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T409-0122
2-(4-acetylpiperazin-1-yl)-N-(4-methoxy-2-methylphenyl)-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

T409-0122

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

2-(4-acetylpiperazin-1-yl)-N-(4-methoxy-2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

IUPAC name

2-(4-acetylpiperazin-1-yl)-N-(4-methoxy-2-methylphenyl)-4567-tetrahydro-13-benzothiazole-6-carboxamide

SMILES

CC(N(CC1)CCN1c1nc(CCC(C2)C(Nc(cc3)c(C)cc3OC)=O)c2s1)=O

InChI

InChI=1S/C22H28N4O3S/c1-14-12-17(29-3)5-7-18(14)23-21(28)16-4-6-19-20(13-16)30-22(24-19)26-10-8-25(9-11-26)15(2)27/h5,7,12,16H,4,6,8-11,13H2,1-3H3,(H,23,28)/t16-/m1/s1

InChI Key

AQFHFJROUJSKQX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29023702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-3.37

Polar Surface Area

62.065

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T409-0122 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T409-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T409-0122?
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What is the minimum amount of T409-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T409-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T409-0122
  • 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 T409-0122 available by request