L539-0091 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

L539-0091 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
L539-0091 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L539-0091
N-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]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

L539-0091

Molecular Formula

C27H25N3O5 (C27 H25 N3 O5)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

SMILES

COc(cc1)ccc1Oc1ccnc(-c2cccc(C(NCc(ccc(OC)c3)c3OC)=O)c2)n1

InChI

InChI=1S/C27H25N3O5/c1-32-21-9-11-22(12-10-21)35-25-13-14-28-26(30-25)18-5-4-6-19(15-18)27(31)29-17-20-7-8-23(33-2)16-24(20)34-3/h4-16H,17H2,1-3H3,(H,29,31)

InChI Key

HWKSJIJIBRKYPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.54

Polar Surface Area

72.750

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

L539-0091 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L539-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L539-0091?
Check Price and Availability of L539-0091, 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 L539-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L539-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L539-0091
  • 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 L539-0091 available by request