V016-8332 Screening compound: (2E)-N-benzyl-3-phenyl-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]prop-2-enamide

V016-8332 Screening compound: (2E)-N-benzyl-3-phenyl-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]prop-2-enamide
V016-8332 Screening compound: (2E)-N-benzyl-3-phenyl-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8332
(2E)-N-benzyl-3-phenyl-N-[4-({[2-(pyrrolidin-1-yl)ethyl]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

V016-8332

Molecular Formula

C30H33N3O2 (C30 H33 N3 O2)

Compound Name

(2E)-N-benzyl-3-phenyl-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]prop-2-enamide

IUPAC name

(2E)-N-benzyl-3-phenyl-N-[4-({[2-(pyrrolidin-1-yl)ethyl]carbamoyl}methyl)phenyl]prop-2-enamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1ccccc1)C(/C=C/c1ccccc1)=O)NCCN1CCCC1

InChI

InChI=1S/C30H33N3O2/c34-29(31-19-22-32-20-7-8-21-32)23-26-13-16-28(17-14-26)33(24-27-11-5-2-6-12-27)30(35)18-15-25-9-3-1-4-10-25/h1-6,9-18H,7-8,19-24H2,(H,31,34)/b18-15+

InChI Key

MGGXAPPGAXHWQI-OBGWFSINSA-N

MDL Number (MFCD)

MFCD19910657

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-4.21

Polar Surface Area

43.452

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V016-8332 in Drug Discovery

Included in Screening Libraries

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

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 V016-8332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8332?
Check Price and Availability of V016-8332, 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 V016-8332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8332
  • 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 V016-8332 available by request