P055-0082 Screening compound: (3,4-difluorophenyl){4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone

P055-0082 Screening compound: (3,4-difluorophenyl){4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone
P055-0082 Screening compound: (3,4-difluorophenyl){4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-0082
(3,4-difluorophenyl){4-[4-(1-pyrrolidinylmethyl)-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

P055-0082

Molecular Formula

C19H22F2N4OS (C19 H22 F2 N4 OS)

Compound Name

(3,4-difluorophenyl){4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone

IUPAC name

1-(34-difluorobenzoyl)-4-{4-[(pyrrolidin-1-yl)methyl]-13-thiazol-2-yl}piperazine

SMILES

O=C(c(cc1)cc(F)c1F)N(CC1)CCN1c1nc(CN2CCCC2)cs1

InChI

InChI=1S/C19H22F2N4OS/c20-16-4-3-14(11-17(16)21)18(26)24-7-9-25(10-8-24)19-22-15(13-27-19)12-23-5-1-2-6-23/h3-4,11,13H,1-2,5-10,12H2

InChI Key

OENMIJXWXSKJPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.47

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

3.097

Distribution Coefficient, logD

0.239

Water Solubility, LogSw

-3.28

Polar Surface Area

34.561

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

P055-0082 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)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P055-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-0082?
Check Price and Availability of P055-0082, 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 P055-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-0082
  • 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 P055-0082 available by request