L666-0835 Screening compound: 4-{[5-(4-methylphenyl)pyrimidin-2-yl]oxy}-N-[(4-propoxyphenyl)methyl]benzamide

L666-0835 Screening compound: 4-{[5-(4-methylphenyl)pyrimidin-2-yl]oxy}-N-[(4-propoxyphenyl)methyl]benzamide
L666-0835 Screening compound: 4-{[5-(4-methylphenyl)pyrimidin-2-yl]oxy}-N-[(4-propoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L666-0835
4-{[5-(4-methylphenyl)pyrimidin-2-yl]oxy}-N-[(4-propoxyphenyl)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

L666-0835

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

4-{[5-(4-methylphenyl)pyrimidin-2-yl]oxy}-N-[(4-propoxyphenyl)methyl]benzamide

IUPAC name

4-{[5-(4-methylphenyl)pyrimidin-2-yl]oxy}-N-[(4-propoxyphenyl)methyl]benzamide

SMILES

CCCOc1ccc(CNC(c(cc2)ccc2Oc(nc2)ncc2-c2ccc(C)cc2)=O)cc1

InChI

InChI=1S/C28H27N3O3/c1-3-16-33-25-12-6-21(7-13-25)17-29-27(32)23-10-14-26(15-11-23)34-28-30-18-24(19-31-28)22-8-4-20(2)5-9-22/h4-15,18-19H,3,16-17H2,1-2H3,(H,29,32)

InChI Key

IKLWMGBHTOJQLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15133078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.934

Distribution Coefficient, logD

5.934

Water Solubility, LogSw

-5.50

Polar Surface Area

57.961

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

L666-0835 in Drug Discovery

Included in Screening Libraries

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 L666-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L666-0835?
Check Price and Availability of L666-0835, 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 L666-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L666-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L666-0835
  • 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 L666-0835 available by request