V028-8402 Screening compound: N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide

V028-8402 Screening compound: N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide
V028-8402 Screening compound: N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8402
N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide

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

V028-8402

Molecular Formula

C25H21FN4O2 (C25 H21 FN4 O2)

Compound Name

N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-fluorobenzamide

IUPAC name

N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-2-fluorobenzamide

SMILES

N#Cc1cccc(CN(CCCN2c(cc3)ccc3NC(c(cccc3)c3F)=O)C2=O)c1

InChI

InChI=1S/C25H21FN4O2/c26-23-8-2-1-7-22(23)24(31)28-20-9-11-21(12-10-20)30-14-4-13-29(25(30)32)17-19-6-3-5-18(15-19)16-27/h1-3,5-12,15H,4,13-14,17H2,(H,28,31)

InChI Key

VWWWOUSUTIBREJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929587

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.09

Polar Surface Area

59.944

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V028-8402 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V028-8402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8402?
Check Price and Availability of V028-8402, 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 V028-8402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8402
  • 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 V028-8402 available by request