V028-9006 Screening compound: 2-(4-{[(3-methylphenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-[2-(piperidin-1-yl)ethyl]acetamide

V028-9006 Screening compound: 2-(4-{[(3-methylphenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-[2-(piperidin-1-yl)ethyl]acetamide
V028-9006 Screening compound: 2-(4-{[(3-methylphenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-[2-(piperidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9006
2-(4-{[(3-methylphenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-[2-(piperidin-1-yl)ethyl]acetamide

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

V028-9006

Molecular Formula

C27H36N4O2 (C27 H36 N4 O2)

Compound Name

2-(4-{[(3-methylphenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-[2-(piperidin-1-yl)ethyl]acetamide

IUPAC name

2-(4-{[(3-methylphenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-[2-(piperidin-1-yl)ethyl]acetamide

SMILES

Cc1cccc(CN(C(NCC=C)=O)c2ccc(CC(NCCN3CCCCC3)=O)cc2)c1

InChI

InChI=1S/C27H36N4O2/c1-3-14-29-27(33)31(21-24-9-7-8-22(2)19-24)25-12-10-23(11-13-25)20-26(32)28-15-18-30-16-5-4-6-17-30/h3,7-13,19H,1,4-6,14-18,20-21H2,2H3,(H,28,32)(H,29,33)

InChI Key

WXHFBOMBAKHWDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19910908

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

1.978

Water Solubility, LogSw

-3.72

Polar Surface Area

53.869

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V028-9006 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V028-9006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9006?
Check Price and Availability of V028-9006, 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 V028-9006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9006
  • 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 V028-9006 available by request