P097-0391 Screening compound: 1-ethyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3-dihydro-1H-indol-2-one

P097-0391 Screening compound: 1-ethyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3-dihydro-1H-indol-2-one
P097-0391 Screening compound: 1-ethyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P097-0391
1-ethyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3-dihydro-1H-indol-2-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

P097-0391

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

1-ethyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-ethyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-23-dihydro-1H-indol-2-one

SMILES

CCN(C(C1)=O)c(cc2)c1cc2C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C20H22N4O2/c1-2-24-17-7-6-15(13-16(17)14-19(24)25)20(26)23-11-9-22(10-12-23)18-5-3-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3

InChI Key

QMBRYDIBBGMCFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.107

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.62

Polar Surface Area

44.401

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P097-0391 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P097-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P097-0391?
Check Price and Availability of P097-0391, 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 P097-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P097-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P097-0391
  • 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 P097-0391 available by request