V016-3786 Screening compound: N-benzyl-N-[4-({[(furan-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

V016-3786 Screening compound: N-benzyl-N-[4-({[(furan-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide
V016-3786 Screening compound: N-benzyl-N-[4-({[(furan-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3786
N-benzyl-N-[4-({[(furan-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

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

V016-3786

Molecular Formula

C26H28N2O3 (C26 H28 N2 O3)

Compound Name

N-benzyl-N-[4-({[(furan-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

IUPAC name

N-benzyl-N-[4-({[(furan-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1ccccc1)C(C1CCCC1)=O)NCc1ccco1

InChI

InChI=1S/C26H28N2O3/c29-25(27-18-24-11-6-16-31-24)17-20-12-14-23(15-13-20)28(19-21-7-2-1-3-8-21)26(30)22-9-4-5-10-22/h1-3,6-8,11-16,22H,4-5,9-10,17-19H2,(H,27,29)

InChI Key

JZPSNHLEZURKSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.76

Polar Surface Area

48.096

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V016-3786 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V016-3786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3786?
Check Price and Availability of V016-3786, 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 V016-3786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3786
  • 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 V016-3786 available by request