T409-0529 Screening compound: 1-{4-[6-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}ethan-1-one

T409-0529 Screening compound: 1-{4-[6-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}ethan-1-one
T409-0529 Screening compound: 1-{4-[6-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T409-0529
1-{4-[6-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}ethan-1-one

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

T409-0529

Molecular Formula

C20H31N5O2S (C20 H31 N5 O2 S)

Compound Name

1-{4-[6-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[6-(4-ethylpiperazine-1-carbonyl)-4567-tetrahydro-13-benzothiazol-2-yl]piperazin-1-yl}ethan-1-one

SMILES

CCN(CC1)CCN1C(C(CC1)Cc2c1nc(N(CC1)CCN1C(C)=O)s2)=O

InChI

InChI=1S/C20H31N5O2S/c1-3-22-6-8-24(9-7-22)19(27)16-4-5-17-18(14-16)28-20(21-17)25-12-10-23(11-13-25)15(2)26/h16H,3-14H2,1-2H3/t16-/m1/s1

InChI Key

AVWNRKDLARSTSU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29025503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.571

Distribution Coefficient, logD

1.131

Water Solubility, LogSw

-1.82

Polar Surface Area

52.313

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

T409-0529 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 T409-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T409-0529?
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What is the minimum amount of T409-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T409-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T409-0529
  • 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 T409-0529 available by request