L564-0096 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide

L564-0096 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
L564-0096 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L564-0096
N-[(3,4-diethoxyphenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]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

L564-0096

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

N-[(3,4-diethoxyphenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide

IUPAC name

N-[(34-diethoxyphenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide

SMILES

CCOc(ccc(CNC(c1cc(-c(cn2)cnc2Oc(cc2)ccc2OC)ccc1)=O)c1)c1OCC

InChI

InChI=1S/C29H29N3O5/c1-4-35-26-14-9-20(15-27(26)36-5-2)17-30-28(33)22-8-6-7-21(16-22)23-18-31-29(32-19-23)37-25-12-10-24(34-3)11-13-25/h6-16,18-19H,4-5,17H2,1-3H3,(H,30,33)

InChI Key

GZTFTRXLDPSOTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.40

Polar Surface Area

72.508

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

L564-0096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L564-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L564-0096?
Check Price and Availability of L564-0096, 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 L564-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L564-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L564-0096
  • 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 L564-0096 available by request