V018-1638 Screening compound: (2E)-N-benzyl-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide

V018-1638 Screening compound: (2E)-N-benzyl-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide
V018-1638 Screening compound: (2E)-N-benzyl-3-phenyl-N-(4-{[(propan-2-yl)carbamoyl]methyl}phenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1638
(2E)-N-benzyl-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

V018-1638

Molecular Formula

C27H28N2O2 (C27 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(Cc(cc1)ccc1N(Cc1ccccc1)C(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C27H28N2O2/c1-21(2)28-26(30)19-23-13-16-25(17-14-23)29(20-24-11-7-4-8-12-24)27(31)18-15-22-9-5-3-6-10-22/h3-18,21H,19-20H2,1-2H3,(H,28,30)

InChI Key

ZVUXBYVXVQHBNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

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

4.810

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.51

Polar Surface Area

38.508

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V018-1638 in Drug Discovery

Included in Screening Libraries

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

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 V018-1638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1638?
Check Price and Availability of V018-1638, 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 V018-1638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1638
  • 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 V018-1638 available by request