V018-1399 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-3-phenylprop-2-enamide

V018-1399 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-3-phenylprop-2-enamide
V018-1399 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1399
(2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]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

V018-1399

Molecular Formula

C28H27FN2O2 (C28 H27 FN2 O2)

Compound Name

(2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[(3-fluorophenyl)methyl]-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-3-phenylprop-2-enamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1cccc(F)c1)C(/C=C/c1ccccc1)=O)N1CCCC1

InChI

InChI=1S/C28H27FN2O2/c29-25-10-6-9-24(19-25)21-31(27(32)16-13-22-7-2-1-3-8-22)26-14-11-23(12-15-26)20-28(33)30-17-4-5-18-30/h1-3,6-16,19H,4-5,17-18,20-21H2

InChI Key

ZXDQAELVUPVPEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.65

Polar Surface Area

31.549

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V018-1399 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V018-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1399?
Check Price and Availability of V018-1399, 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 V018-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1399
  • 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 V018-1399 available by request