V016-8330 Screening compound: (2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide

V016-8330 Screening compound: (2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide
V016-8330 Screening compound: (2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8330
(2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide

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

V016-8330

Molecular Formula

C28H30N2O2 (C28 H30 N2 O2)

Compound Name

(2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide

IUPAC name

(2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide

SMILES

CC(C)NC(Cc(cc1)ccc1N(Cc1cc(C)ccc1)C(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C28H30N2O2/c1-21(2)29-27(31)19-24-12-15-26(16-13-24)30(20-25-11-7-8-22(3)18-25)28(32)17-14-23-9-5-4-6-10-23/h4-18,21H,19-20H2,1-3H3,(H,29,31)

InChI Key

HSDRNOYTRCPRCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

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

5.457

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.37

Polar Surface Area

38.508

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V016-8330 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V016-8330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8330?
Check Price and Availability of V016-8330, 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 V016-8330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8330
  • 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 V016-8330 available by request