P194-1353 Screening compound: 3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-6-methyl-4(3H)-pyrimidinone

P194-1353 Screening compound: 3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-6-methyl-4(3H)-pyrimidinone
P194-1353 Screening compound: 3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-6-methyl-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound P194-1353
3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-6-methyl-4(3H)-pyrimidinone

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

P194-1353

Molecular Formula

C24H24N4O2 (C24 H24 N4 O2)

Compound Name

3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-[3,4-dihydro-2(1H)-isoquinolinyl]-6-methyl-4(3H)-pyrimidinone

IUPAC name

3-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-methyl-2-(1234-tetrahydroisoquinolin-2-yl)-34-dihydropyrimidin-4-one

SMILES

CC(N=C(N1CC(N(CC2)c3c2cccc3)=O)N(CC2)Cc3c2cccc3)=CC1=O

InChI

InChI=1S/C24H24N4O2/c1-17-14-22(29)28(16-23(30)27-13-11-19-7-4-5-9-21(19)27)24(25-17)26-12-10-18-6-2-3-8-20(18)15-26/h2-9,14H,10-13,15-16H2,1H3

InChI Key

JVKSATPSOYYVGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18200901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

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

2.722

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-2.94

Polar Surface Area

44.041

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

P194-1353 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P194-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P194-1353?
Check Price and Availability of P194-1353, 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 P194-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P194-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P194-1353
  • 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 P194-1353 available by request