L369-0080 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide

L369-0080 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide
L369-0080 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L369-0080
N-[(2,5-dimethoxyphenyl)methyl]-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}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

L369-0080

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide

SMILES

Cc1cccc(-c2cnc(Nc3cccc(C(NCc(cc(cc4)OC)c4OC)=O)c3)nc2)c1

InChI

InChI=1S/C27H26N4O3/c1-18-6-4-7-19(12-18)22-16-29-27(30-17-22)31-23-9-5-8-20(13-23)26(32)28-15-21-14-24(33-2)10-11-25(21)34-3/h4-14,16-17H,15H2,1-3H3,(H,28,32)(H,29,30,31)

InChI Key

SYHRGZQAHPMKCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.223

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-4.97

Polar Surface Area

69.216

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

L369-0080 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L369-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L369-0080?
Check Price and Availability of L369-0080, 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 L369-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L369-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L369-0080
  • 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 L369-0080 available by request