8015-4914 Screening compound: N-[4-(benzylcarbamoyl)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

8015-4914 Screening compound: N-[4-(benzylcarbamoyl)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
8015-4914 Screening compound: N-[4-(benzylcarbamoyl)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4914
N-[4-(benzylcarbamoyl)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

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

8015-4914

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

N-[4-(benzylcarbamoyl)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

IUPAC name

N-[4-(benzylcarbamoyl)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

SMILES

COc1ccc(C2(CCOCC2)C(Nc(cc2)ccc2C(NCc2ccccc2)=O)=O)cc1

InChI

InChI=1S/C27H28N2O4/c1-32-24-13-9-22(10-14-24)27(15-17-33-18-16-27)26(31)29-23-11-7-21(8-12-23)25(30)28-19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3,(H,28,30)(H,29,31)

InChI Key

ZJZSEVDHCTWTHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03872115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.38

Polar Surface Area

63.116

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

8015-4914 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
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 8015-4914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4914?
Check Price and Availability of 8015-4914, 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 8015-4914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4914
  • 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 8015-4914 available by request