P090-0566 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(1H-indol-4-yl)propan-1-one

P090-0566 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(1H-indol-4-yl)propan-1-one
P090-0566 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(1H-indol-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P090-0566
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(1H-indol-4-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

P090-0566

Molecular Formula

C21H22ClN3O (C21 H22 ClN3 O)

Compound Name

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(1H-indol-4-yl)propan-1-one

IUPAC name

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(1H-indol-4-yl)propan-1-one

SMILES

O=C(CCc1c(cc[nH]2)c2ccc1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C21H22ClN3O/c22-17-4-2-5-18(15-17)24-11-13-25(14-12-24)21(26)8-7-16-3-1-6-20-19(16)9-10-23-20/h1-6,9-10,15,23H,7-8,11-14H2

InChI Key

NWTQLCPPJSWVHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.88

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

3.966

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-4.34

Polar Surface Area

29.401

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P090-0566 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P090-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P090-0566?
Check Price and Availability of P090-0566, 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 P090-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P090-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P090-0566
  • 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 P090-0566 available by request