V017-9478 Screening compound: 1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea

V017-9478 Screening compound: 1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea
V017-9478 Screening compound: 1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9478
1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)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

V017-9478

Molecular Formula

C27H30N4O5 (C27 H30 N4 O5)

Compound Name

1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea

IUPAC name

1-(2-{3-[(35-dimethoxyphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea

SMILES

COc1cccc(NC(Nc(cccc2)c2N(CCCN2Cc3cc(OC)cc(OC)c3)C2=O)=O)c1

InChI

InChI=1S/C27H30N4O5/c1-34-21-9-6-8-20(16-21)28-26(32)29-24-10-4-5-11-25(24)31-13-7-12-30(27(31)33)18-19-14-22(35-2)17-23(15-19)36-3/h4-6,8-11,14-17H,7,12-13,18H2,1-3H3,(H2,28,29,32)

InChI Key

BORWURMJERFWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.54

Polar Surface Area

73.733

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V017-9478 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V017-9478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9478?
Check Price and Availability of V017-9478, 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 V017-9478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9478
  • 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 V017-9478 available by request