V016-3333 Screening compound: (2E)-N-{3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide

V016-3333 Screening compound: (2E)-N-{3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
V016-3333 Screening compound: (2E)-N-{3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3333
(2E)-N-{3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(4-fluorophenyl)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

V016-3333

Molecular Formula

C30H30FN3O3 (C30 H30 FN3 O3)

Compound Name

(2E)-N-{3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide

SMILES

CC(N(CC1)CCN1C(Cc1cccc(N(Cc(cc2)ccc2F)C(/C=C/c2ccccc2)=O)c1)=O)=O

InChI

InChI=1S/C30H30FN3O3/c1-23(35)32-16-18-33(19-17-32)30(37)21-26-8-5-9-28(20-26)34(22-25-10-13-27(31)14-11-25)29(36)15-12-24-6-3-2-4-7-24/h2-15,20H,16-19,21-22H2,1H3

InChI Key

XXXWHJDDXMQXAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-4.43

Polar Surface Area

48.379

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V016-3333 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-3333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3333?
Check Price and Availability of V016-3333, 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 V016-3333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3333
  • 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 V016-3333 available by request