P055-2161 Screening compound: 4-({2-[4-(3-METHYLTHIOPHENE-2-CARBONYL)PIPERAZIN-1-YL]-1,3-THIAZOL-4-YL}METHYL)MORPHOLINE

P055-2161 Screening compound: 4-({2-[4-(3-METHYLTHIOPHENE-2-CARBONYL)PIPERAZIN-1-YL]-1,3-THIAZOL-4-YL}METHYL)MORPHOLINE
P055-2161 Screening compound: 4-({2-[4-(3-METHYLTHIOPHENE-2-CARBONYL)PIPERAZIN-1-YL]-1,3-THIAZOL-4-YL}METHYL)MORPHOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-2161
4-({2-[4-(3-METHYLTHIOPHENE-2-CARBONYL)PIPERAZIN-1-YL]-1,3-THIAZOL-4-YL}METHYL)MORPHOLINE

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

P055-2161

Molecular Formula

C18H24N4O2S2 (C18 H24 N4 O2 S2)

Compound Name

4-({2-[4-(3-METHYLTHIOPHENE-2-CARBONYL)PIPERAZIN-1-YL]-1,3-THIAZOL-4-YL}METHYL)MORPHOLINE

IUPAC name

4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-13-thiazol-4-yl}methyl)morpholine

SMILES

Cc1c(C(N(CC2)CCN2c2nc(CN3CCOCC3)cs2)=O)scc1

InChI

InChI=1S/C18H24N4O2S2/c1-14-2-11-25-16(14)17(23)21-3-5-22(6-4-21)18-19-15(13-26-18)12-20-7-9-24-10-8-20/h2,11,13H,3-10,12H2,1H3

InChI Key

LJSQTNNGTLNONU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-2.56

Polar Surface Area

43.122

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

P055-2161 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P055-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-2161?
Check Price and Availability of P055-2161, 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 P055-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-2161
  • 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 P055-2161 available by request