P091-0568 Screening compound: 3-(1H-indol-5-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

P091-0568 Screening compound: 3-(1H-indol-5-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
P091-0568 Screening compound: 3-(1H-indol-5-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P091-0568
3-(1H-indol-5-yl)-1-(4-phenylpiperazin-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

P091-0568

Molecular Formula

C21H23N3O (C21 H23 N3 O)

Compound Name

3-(1H-indol-5-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

IUPAC name

3-(1H-indol-5-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

O=C(CCc(cc1)cc2c1[nH]cc2)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C21H23N3O/c25-21(9-7-17-6-8-20-18(16-17)10-11-22-20)24-14-12-23(13-15-24)19-4-2-1-3-5-19/h1-6,8,10-11,16,22H,7,9,12-15H2

InChI Key

ISMMXGYVBUKDIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.56

Polar Surface Area

29.401

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P091-0568 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Indole Derivatives (10091 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P091-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P091-0568?
Check Price and Availability of P091-0568, 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 P091-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P091-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P091-0568
  • 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 P091-0568 available by request