V016-8335 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenyl}-3-phenylprop-2-enamide

V016-8335 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenyl}-3-phenylprop-2-enamide
V016-8335 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenyl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8335
(2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenyl}-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

V016-8335

Molecular Formula

C28H27FN2O3 (C28 H27 FN2 O3)

Compound Name

(2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenyl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenyl}-3-phenylprop-2-enamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1cccc(F)c1)C(/C=C/c1ccccc1)=O)N1CCOCC1

InChI

InChI=1S/C28H27FN2O3/c29-25-8-4-7-24(19-25)21-31(27(32)14-11-22-5-2-1-3-6-22)26-12-9-23(10-13-26)20-28(33)30-15-17-34-18-16-30/h1-14,19H,15-18,20-21H2

InChI Key

BQJSBQRNUOSCRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.50

Polar Surface Area

39.092

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V016-8335 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V016-8335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8335?
Check Price and Availability of V016-8335, 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 V016-8335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8335
  • 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 V016-8335 available by request