P055-0597 Screening compound: 1-(2,4-difluorobenzoyl)-4-{4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}piperazine

P055-0597 Screening compound: 1-(2,4-difluorobenzoyl)-4-{4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}piperazine
P055-0597 Screening compound: 1-(2,4-difluorobenzoyl)-4-{4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-0597
1-(2,4-difluorobenzoyl)-4-{4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}piperazine

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

P055-0597

Molecular Formula

C21H26F2N4OS (C21 H26 F2 N4 OS)

Compound Name

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

IUPAC name

1-(24-difluorobenzoyl)-4-{4-[(4-methylpiperidin-1-yl)methyl]-13-thiazol-2-yl}piperazine

SMILES

CC1CCN(Cc2csc(N(CC3)CCN3C(c(ccc(F)c3)c3F)=O)n2)CC1

InChI

InChI=1S/C21H26F2N4OS/c1-15-4-6-25(7-5-15)13-17-14-29-21(24-17)27-10-8-26(9-11-27)20(28)18-3-2-16(22)12-19(18)23/h2-3,12,14-15H,4-11,13H2,1H3

InChI Key

QVUYKMOJLOAESX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-4.15

Polar Surface Area

34.195

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

P055-0597 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P055-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-0597?
Check Price and Availability of P055-0597, 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 P055-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-0597
  • 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 P055-0597 available by request