L539-0341 Screening compound: 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

L539-0341 Screening compound: 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
L539-0341 Screening compound: 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L539-0341
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

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

L539-0341

Molecular Formula

C26H23N3O3S (C26 H23 N3 O3 S)

Compound Name

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

IUPAC name

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

SMILES

COc1cccc(Oc2ccnc(-c3cccc(C(NCc(cc4)ccc4SC)=O)c3)n2)c1

InChI

InChI=1S/C26H23N3O3S/c1-31-21-7-4-8-22(16-21)32-24-13-14-27-25(29-24)19-5-3-6-20(15-19)26(30)28-17-18-9-11-23(33-2)12-10-18/h3-16H,17H2,1-2H3,(H,28,30)

InChI Key

VKWATSYZRBFFNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.011

Distribution Coefficient, logD

5.011

Water Solubility, LogSw

-4.85

Polar Surface Area

57.575

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

L539-0341 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L539-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L539-0341?
Check Price and Availability of L539-0341, 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 L539-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L539-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L539-0341
  • 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 L539-0341 available by request