P095-0491 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(1H-indol-6-yl)propan-1-one

P095-0491 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(1H-indol-6-yl)propan-1-one
P095-0491 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(1H-indol-6-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P095-0491
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(1H-indol-6-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

P095-0491

Molecular Formula

C21H22ClN3O (C21 H22 ClN3 O)

Compound Name

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(1H-indol-6-yl)propan-1-one

IUPAC name

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(1H-indol-6-yl)propan-1-one

SMILES

O=C(CCc1cc([nH]cc2)c2cc1)N(CC1)CCN1c(cc1)ccc1Cl

InChI

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

InChI Key

GHAJHQGRLOBIFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564252

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

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.50

Polar Surface Area

29.401

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P095-0491 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Indole Derivatives (10091 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P095-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P095-0491?
Check Price and Availability of P095-0491, 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 P095-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P095-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P095-0491
  • 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 P095-0491 available by request