V016-4296 Screening compound: N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2-phenoxyacetamide

V016-4296 Screening compound: N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2-phenoxyacetamide
V016-4296 Screening compound: N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4296
N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-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

V016-4296

Molecular Formula

C31H28N2O5 (C31 H28 N2 O5)

Compound Name

N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2-phenoxyacetamide

IUPAC name

N-[4-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2-phenoxyacetamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1ccccc1)C(COc1ccccc1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C31H28N2O5/c34-30(32-19-25-13-16-28-29(17-25)38-22-37-28)18-23-11-14-26(15-12-23)33(20-24-7-3-1-4-8-24)31(35)21-36-27-9-5-2-6-10-27/h1-17H,18-22H2,(H,32,34)

InChI Key

ILBZAYLGQHPQDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.88

Polar Surface Area

63.877

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

V016-4296 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V016-4296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4296?
Check Price and Availability of V016-4296, 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 V016-4296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4296
  • 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 V016-4296 available by request