V018-7025 Screening compound: 1-[(3-methylphenyl)methyl]-1-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl}-3-(prop-2-en-1-yl)urea

V018-7025 Screening compound: 1-[(3-methylphenyl)methyl]-1-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl}-3-(prop-2-en-1-yl)urea
V018-7025 Screening compound: 1-[(3-methylphenyl)methyl]-1-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl}-3-(prop-2-en-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7025
1-[(3-methylphenyl)methyl]-1-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl}-3-(prop-2-en-1-yl)urea

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

V018-7025

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

1-[(3-methylphenyl)methyl]-1-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl}-3-(prop-2-en-1-yl)urea

IUPAC name

1-[(3-methylphenyl)methyl]-1-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl}-3-(prop-2-en-1-yl)urea

SMILES

Cc1cccc(CN(C(NCC=C)=O)c2ccc(CC(N3CCN(C)CC3)=O)cc2)c1

InChI

InChI=1S/C25H32N4O2/c1-4-12-26-25(31)29(19-22-7-5-6-20(2)17-22)23-10-8-21(9-11-23)18-24(30)28-15-13-27(3)14-16-28/h4-11,17H,1,12-16,18-19H2,2-3H3,(H,26,31)

InChI Key

ZJYFUNZLUKUNLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904161

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.50

Polar Surface Area

45.443

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V018-7025 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V018-7025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7025?
Check Price and Availability of V018-7025, 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 V018-7025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7025
  • 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 V018-7025 available by request