M459-6273 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one

M459-6273 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
M459-6273 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-6273
1-(4-phenylpiperazin-1-yl)-2-{[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-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

M459-6273

Molecular Formula

C25H27N5OS (C25 H27 N5 OS)

Compound Name

1-(4-phenylpiperazin-1-yl)-2-{[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-phenylpiperazin-1-yl)-2-{[4-(1234-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nc(N(CC2)Cc3c2cccc3)ccn1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C25H27N5OS/c31-24(29-16-14-28(15-17-29)22-8-2-1-3-9-22)19-32-25-26-12-10-23(27-25)30-13-11-20-6-4-5-7-21(20)18-30/h1-10,12H,11,13-19H2

InChI Key

FTRXGTNSVSTROV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.37

Polar Surface Area

39.923

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M459-6273 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M459-6273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-6273?
Check Price and Availability of M459-6273, 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 M459-6273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-6273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-6273
  • 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 M459-6273 available by request