L533-0063 Screening compound: N-cyclohexyl-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-methylbenzamide

L533-0063 Screening compound: N-cyclohexyl-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-methylbenzamide
L533-0063 Screening compound: N-cyclohexyl-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L533-0063
N-cyclohexyl-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-methylbenzamide

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

L533-0063

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

N-cyclohexyl-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-methylbenzamide

IUPAC name

N-cyclohexyl-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-methylbenzamide

SMILES

CN(C1CCCCC1)C(c(cc1)ccc1-c1ncnc(Oc(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C25H27N3O3/c1-28(20-6-4-3-5-7-20)25(29)19-10-8-18(9-11-19)23-16-24(27-17-26-23)31-22-14-12-21(30-2)13-15-22/h8-17,20H,3-7H2,1-2H3

InChI Key

JTUPQYFTVIZEKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

4.756

Water Solubility, LogSw

-4.58

Polar Surface Area

49.171

Acid Dissociation Constant (pKa)

27.13

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L533-0063 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L533-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L533-0063?
Check Price and Availability of L533-0063, 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 L533-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L533-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L533-0063
  • 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 L533-0063 available by request