L368-0549 Screening compound: 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-{[4-(diethylamino)phenyl]methyl}benzamide

L368-0549 Screening compound: 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-{[4-(diethylamino)phenyl]methyl}benzamide
L368-0549 Screening compound: 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-{[4-(diethylamino)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L368-0549
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-{[4-(diethylamino)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

L368-0549

Molecular Formula

C28H35N5O (C28 H35 N5 O)

Compound Name

3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-{[4-(diethylamino)phenyl]methyl}benzamide

IUPAC name

3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-{[4-(diethylamino)phenyl]methyl}benzamide

SMILES

CCN(CC)c1ccc(CNC(c2cc(-c3cnc(NC4CCCCC4)nc3)ccc2)=O)cc1

InChI

InChI=1S/C28H35N5O/c1-3-33(4-2)26-15-13-21(14-16-26)18-29-27(34)23-10-8-9-22(17-23)24-19-30-28(31-20-24)32-25-11-6-5-7-12-25/h8-10,13-17,19-20,25H,3-7,11-12,18H2,1-2H3,(H,29,34)(H,30,31,32)

InChI Key

ZHBCFUZJOOWCJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.329

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-5.15

Polar Surface Area

57.825

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

L368-0549 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L368-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L368-0549?
Check Price and Availability of L368-0549, 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 L368-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L368-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L368-0549
  • 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 L368-0549 available by request