L367-0549 Screening compound: N-BENZYL-4-[2-(CYCLOHEXYLAMINO)PYRIMIDIN-5-YL]-N-METHYLBENZAMIDE

L367-0549 Screening compound: N-BENZYL-4-[2-(CYCLOHEXYLAMINO)PYRIMIDIN-5-YL]-N-METHYLBENZAMIDE
L367-0549 Screening compound: N-BENZYL-4-[2-(CYCLOHEXYLAMINO)PYRIMIDIN-5-YL]-N-METHYLBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L367-0549
N-BENZYL-4-[2-(CYCLOHEXYLAMINO)PYRIMIDIN-5-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

L367-0549

Molecular Formula

C25H28N4O (C25 H28 N4 O)

Compound Name

N-BENZYL-4-[2-(CYCLOHEXYLAMINO)PYRIMIDIN-5-YL]-N-METHYLBENZAMIDE

IUPAC name

n/a

SMILES

CN(Cc1ccccc1)C(c(cc1)ccc1-c1cnc(NC2CCCCC2)nc1)=O

InChI

InChI=1S/C25H28N4O/c1-29(18-19-8-4-2-5-9-19)24(30)21-14-12-20(13-15-21)22-16-26-25(27-17-22)28-23-10-6-3-7-11-23/h2,4-5,8-9,12-17,23H,3,6-7,10-11,18H2,1H3,(H,26,27,28)

InChI Key

ZDOZMEAFRBXXCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.738

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-4.42

Polar Surface Area

46.826

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L367-0549 in Drug Discovery

Included in Screening Libraries

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 L367-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L367-0549?
Check Price and Availability of L367-0549, 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 L367-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L367-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L367-0549
  • 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 L367-0549 available by request