V004-0890 Screening compound: N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2,6-difluorobenzamide

V004-0890 Screening compound: N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2,6-difluorobenzamide
V004-0890 Screening compound: N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0890
N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2,6-difluorobenzamide

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

V004-0890

Molecular Formula

C25H20F2N4O2 (C25 H20 F2 N4 O2)

Compound Name

N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2,6-difluorobenzamide

IUPAC name

N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-26-difluorobenzamide

SMILES

N#Cc1c(CN(CCCN2c3cccc(NC(c(c(F)ccc4)c4F)=O)c3)C2=O)cccc1

InChI

InChI=1S/C25H20F2N4O2/c26-21-10-4-11-22(27)23(21)24(32)29-19-8-3-9-20(14-19)31-13-5-12-30(25(31)33)16-18-7-2-1-6-17(18)15-28/h1-4,6-11,14H,5,12-13,16H2,(H,29,32)

InChI Key

PGNYAPBGGUALGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

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

4.704

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.67

Polar Surface Area

59.944

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V004-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0890?
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What is the minimum amount of V004-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0890
  • 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 V004-0890 available by request