V016-5918 Screening compound: N-[(4-methylphenyl)methyl]-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)cyclopentanecarboxamide

V016-5918 Screening compound: N-[(4-methylphenyl)methyl]-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)cyclopentanecarboxamide
V016-5918 Screening compound: N-[(4-methylphenyl)methyl]-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5918
N-[(4-methylphenyl)methyl]-N-(3-{[(prop-2-en-1-yl)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

V016-5918

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

N-[(4-methylphenyl)methyl]-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)cyclopentanecarboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)cyclopentanecarboxamide

SMILES

Cc1ccc(CN(C(C2CCCC2)=O)c2cc(CC(NCC=C)=O)ccc2)cc1

InChI

InChI=1S/C25H30N2O2/c1-3-15-26-24(28)17-21-7-6-10-23(16-21)27(25(29)22-8-4-5-9-22)18-20-13-11-19(2)12-14-20/h3,6-7,10-14,16,22H,1,4-5,8-9,15,17-18H2,2H3,(H,26,28)

InChI Key

QFKDWRKQOARZLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.39

Polar Surface Area

40.461

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V016-5918 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V016-5918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5918?
Check Price and Availability of V016-5918, 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 V016-5918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5918
  • 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 V016-5918 available by request