V016-3299 Screening compound: (2E)-N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide

V016-3299 Screening compound: (2E)-N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
V016-3299 Screening compound: (2E)-N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3299
(2E)-N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-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

V016-3299

Molecular Formula

C32H30N2O2 (C32 H30 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C(/C=C/c2ccccc2)=O)c2cc(CC(Nc3cc(C)ccc3)=O)ccc2)cc1

InChI

InChI=1S/C32H30N2O2/c1-24-14-16-27(17-15-24)23-34(32(36)19-18-26-9-4-3-5-10-26)30-13-7-11-28(21-30)22-31(35)33-29-12-6-8-25(2)20-29/h3-21H,22-23H2,1-2H3,(H,33,35)

InChI Key

KHFUHRXWPMJPKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

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

6.827

Distribution Coefficient, logD

6.827

Water Solubility, LogSw

-5.59

Polar Surface Area

37.940

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V016-3299 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V016-3299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3299?
Check Price and Availability of V016-3299, 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 V016-3299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3299
  • 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 V016-3299 available by request