T409-0557 Screening compound: 1-(4-{6-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl}piperazin-1-yl)propan-1-one

T409-0557 Screening compound: 1-(4-{6-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl}piperazin-1-yl)propan-1-one
T409-0557 Screening compound: 1-(4-{6-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl}piperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T409-0557
1-(4-{6-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl}piperazin-1-yl)propan-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

T409-0557

Molecular Formula

C23H37N5O2S (C23 H37 N5 O2 S)

Compound Name

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

IUPAC name

1-(4-{6-[4-(2-methylpropyl)piperazine-1-carbonyl]-4567-tetrahydro-13-benzothiazol-2-yl}piperazin-1-yl)propan-1-one

SMILES

CCC(N(CC1)CCN1c1nc(CCC(C2)C(N3CCN(CC(C)C)CC3)=O)c2s1)=O

InChI

InChI=1S/C23H37N5O2S/c1-4-21(29)26-11-13-28(14-12-26)23-24-19-6-5-18(15-20(19)31-23)22(30)27-9-7-25(8-10-27)16-17(2)3/h17-18H,4-16H2,1-3H3/t18-/m1/s1

InChI Key

DVDJDWFMYVXKJS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29024149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-2.88

Polar Surface Area

51.593

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.30

T409-0557 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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 T409-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T409-0557?
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What is the minimum amount of T409-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T409-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T409-0557
  • 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 T409-0557 available by request