M459-6282 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-{[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one

M459-6282 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-{[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
M459-6282 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-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 M459-6282
1-[4-(4-methoxyphenyl)piperazin-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

M459-6282

Molecular Formula

C26H29N5O2S (C26 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CSc1nc(N(CC2)Cc3c2cccc3)ccn1)=O

InChI

InChI=1S/C26H29N5O2S/c1-33-23-8-6-22(7-9-23)29-14-16-30(17-15-29)25(32)19-34-26-27-12-10-24(28-26)31-13-11-20-4-2-3-5-21(20)18-31/h2-10,12H,11,13-19H2,1H3

InChI Key

ILSSVSVTSKDFLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.572

Water Solubility, LogSw

-4.33

Polar Surface Area

47.467

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

M459-6282 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M459-6282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-6282?
Check Price and Availability of M459-6282, 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 M459-6282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-6282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-6282
  • 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 M459-6282 available by request