T409-0029 Screening compound: 2-(4-acetylpiperazin-1-yl)-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

T409-0029 Screening compound: 2-(4-acetylpiperazin-1-yl)-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
T409-0029 Screening compound: 2-(4-acetylpiperazin-1-yl)-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T409-0029
2-(4-acetylpiperazin-1-yl)-N-(3-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

T409-0029

Molecular Formula

C21H26N4O2S (C21 H26 N4 O2 S)

Compound Name

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

IUPAC name

2-(4-acetylpiperazin-1-yl)-N-(3-methylphenyl)-4567-tetrahydro-13-benzothiazole-6-carboxamide

SMILES

CC(N(CC1)CCN1c1nc(CCC(C2)C(Nc3cc(C)ccc3)=O)c2s1)=O

InChI

InChI=1S/C21H26N4O2S/c1-14-4-3-5-17(12-14)22-20(27)16-6-7-18-19(13-16)28-21(23-18)25-10-8-24(9-11-25)15(2)26/h3-5,12,16H,6-11,13H2,1-2H3,(H,22,27)/t16-/m1/s1

InChI Key

YIJXFGXAWOHLIS-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29023650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.24

Polar Surface Area

55.220

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

T409-0029 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 T409-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T409-0029?
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What is the minimum amount of T409-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T409-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T409-0029
  • 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 T409-0029 available by request