M459-0896 Screening compound: N-(3-bromophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide

M459-0896 Screening compound: N-(3-bromophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
M459-0896 Screening compound: N-(3-bromophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-0896
N-(3-bromophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide

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

M459-0896

Molecular Formula

C22H22BrN5OS (C22 H22 BrN5 OS)

Compound Name

N-(3-bromophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-bromophenyl)-2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nc(N(CC2)CCN2c2ccccc2)ccn1)Nc1cccc(Br)c1

InChI

InChI=1S/C22H22BrN5OS/c23-17-5-4-6-18(15-17)25-21(29)16-30-22-24-10-9-20(26-22)28-13-11-27(12-14-28)19-7-2-1-3-8-19/h1-10,15H,11-14,16H2,(H,25,29)

InChI Key

AKHURDGMQFGSHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-5.36

Polar Surface Area

47.018

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M459-0896 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M459-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-0896?
Check Price and Availability of M459-0896, 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 M459-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-0896
  • 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 M459-0896 available by request