L369-0079 Screening compound: 3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

L369-0079 Screening compound: 3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
L369-0079 Screening compound: 3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L369-0079
3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)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

L369-0079

Molecular Formula

C26H24N4OS (C26 H24 N4 OS)

Compound Name

3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

IUPAC name

3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

SMILES

Cc1cccc(-c2cnc(Nc3cccc(C(NCc(cc4)ccc4SC)=O)c3)nc2)c1

InChI

InChI=1S/C26H24N4OS/c1-18-5-3-6-20(13-18)22-16-28-26(29-17-22)30-23-8-4-7-21(14-23)25(31)27-15-19-9-11-24(32-2)12-10-19/h3-14,16-17H,15H2,1-2H3,(H,27,31)(H,28,29,30)

InChI Key

XNQWZRZSJDPZER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.742

Distribution Coefficient, logD

5.742

Water Solubility, LogSw

-5.29

Polar Surface Area

54.041

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

L369-0079 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L369-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L369-0079?
Check Price and Availability of L369-0079, 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 L369-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L369-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L369-0079
  • 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 L369-0079 available by request