L539-0045 Screening compound: 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-pentylbenzamide

L539-0045 Screening compound: 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-pentylbenzamide
L539-0045 Screening compound: 3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L539-0045
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-pentylbenzamide

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

L539-0045

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-pentylbenzamide

IUPAC name

3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-pentylbenzamide

SMILES

CCCCCNC(c1cc(-c2nc(Oc(cc3)ccc3OC)ccn2)ccc1)=O

InChI

InChI=1S/C23H25N3O3/c1-3-4-5-14-25-23(27)18-8-6-7-17(16-18)22-24-15-13-21(26-22)29-20-11-9-19(28-2)10-12-20/h6-13,15-16H,3-5,14H2,1-2H3,(H,25,27)

InChI Key

DJIBSPGBNXWYHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.45

Polar Surface Area

57.688

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L539-0045 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L539-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L539-0045?
Check Price and Availability of L539-0045, 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 L539-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L539-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L539-0045
  • 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 L539-0045 available by request