P055-0517 Screening compound: (3-methoxyphenyl)(4-{4-[(4-methylpiperidino)methyl]-1,3-thiazol-2-yl}piperazino)methanone

P055-0517 Screening compound: (3-methoxyphenyl)(4-{4-[(4-methylpiperidino)methyl]-1,3-thiazol-2-yl}piperazino)methanone
P055-0517 Screening compound: (3-methoxyphenyl)(4-{4-[(4-methylpiperidino)methyl]-1,3-thiazol-2-yl}piperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-0517
(3-methoxyphenyl)(4-{4-[(4-methylpiperidino)methyl]-1,3-thiazol-2-yl}piperazino)methanone

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

P055-0517

Molecular Formula

C22H30N4O2S (C22 H30 N4 O2 S)

Compound Name

(3-methoxyphenyl)(4-{4-[(4-methylpiperidino)methyl]-1,3-thiazol-2-yl}piperazino)methanone

IUPAC name

1-(3-methoxybenzoyl)-4-{4-[(4-methylpiperidin-1-yl)methyl]-13-thiazol-2-yl}piperazine

SMILES

CC1CCN(Cc2csc(N(CC3)CCN3C(c3cc(OC)ccc3)=O)n2)CC1

InChI

InChI=1S/C22H30N4O2S/c1-17-6-8-24(9-7-17)15-19-16-29-22(23-19)26-12-10-25(11-13-26)21(27)18-4-3-5-20(14-18)28-2/h3-5,14,16-17H,6-13,15H2,1-2H3

InChI Key

JOHBGQCLWWYWMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

1.267

Water Solubility, LogSw

-3.77

Polar Surface Area

41.739

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

P055-0517 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P055-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-0517?
Check Price and Availability of P055-0517, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P055-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-0517
  • 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 P055-0517 available by request