V016-6476 Screening compound: N-benzyl-N-[3-({[(furan-2-yl)methyl](methyl)carbamoyl}methyl)phenyl]-2-phenoxyacetamide

V016-6476 Screening compound: N-benzyl-N-[3-({[(furan-2-yl)methyl](methyl)carbamoyl}methyl)phenyl]-2-phenoxyacetamide
V016-6476 Screening compound: N-benzyl-N-[3-({[(furan-2-yl)methyl](methyl)carbamoyl}methyl)phenyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6476
N-benzyl-N-[3-({[(furan-2-yl)methyl](methyl)carbamoyl}methyl)phenyl]-2-phenoxyacetamide

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

V016-6476

Molecular Formula

C29H28N2O4 (C29 H28 N2 O4)

Compound Name

N-benzyl-N-[3-({[(furan-2-yl)methyl](methyl)carbamoyl}methyl)phenyl]-2-phenoxyacetamide

IUPAC name

N-benzyl-N-[3-({[(furan-2-yl)methyl](methyl)carbamoyl}methyl)phenyl]-2-phenoxyacetamide

SMILES

CN(Cc1ccco1)C(Cc1cccc(N(Cc2ccccc2)C(COc2ccccc2)=O)c1)=O

InChI

InChI=1S/C29H28N2O4/c1-30(21-27-16-9-17-34-27)28(32)19-24-12-8-13-25(18-24)31(20-23-10-4-2-5-11-23)29(33)22-35-26-14-6-3-7-15-26/h2-18H,19-22H2,1H3

InChI Key

HUCFATURYGDLPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.68

Polar Surface Area

45.933

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.24

V016-6476 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-6476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6476?
Check Price and Availability of V016-6476, 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 V016-6476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6476
  • 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 V016-6476 available by request