6354-0116 Screening compound: N-[4-({[4-(4-methoxyphenyl)oxan-4-yl]methyl}carbamoyl)phenyl]furan-2-carboxamide

6354-0116 Screening compound: N-[4-({[4-(4-methoxyphenyl)oxan-4-yl]methyl}carbamoyl)phenyl]furan-2-carboxamide
6354-0116 Screening compound: N-[4-({[4-(4-methoxyphenyl)oxan-4-yl]methyl}carbamoyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6354-0116
N-[4-({[4-(4-methoxyphenyl)oxan-4-yl]methyl}carbamoyl)phenyl]furan-2-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

6354-0116

Molecular Formula

C25H26N2O5 (C25 H26 N2 O5)

Compound Name

N-[4-({[4-(4-methoxyphenyl)oxan-4-yl]methyl}carbamoyl)phenyl]furan-2-carboxamide

IUPAC name

N-[4-({[4-(4-methoxyphenyl)oxan-4-yl]methyl}carbamoyl)phenyl]furan-2-carboxamide

SMILES

COc1ccc(C2(CNC(c(cc3)ccc3NC(c3ccco3)=O)=O)CCOCC2)cc1

InChI

InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29)

InChI Key

ZJZWZIXSGNFWQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03863265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.02

Polar Surface Area

71.694

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

6354-0116 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6354-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6354-0116?
Check Price and Availability of 6354-0116, 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 6354-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6354-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6354-0116
  • 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 6354-0116 available by request