V010-0459 Screening compound: 2,4-difluoro-N-(5-methoxy-2-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide

V010-0459 Screening compound: 2,4-difluoro-N-(5-methoxy-2-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide
V010-0459 Screening compound: 2,4-difluoro-N-(5-methoxy-2-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0459
2,4-difluoro-N-(5-methoxy-2-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide

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

V010-0459

Molecular Formula

C26H25F2N3O4 (C26 H25 F2 N3 O4)

Compound Name

2,4-difluoro-N-(5-methoxy-2-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide

IUPAC name

24-difluoro-N-(5-methoxy-2-{3-[(4-methoxyphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)benzamide

SMILES

COc1ccc(CN(CCCN2c(ccc(OC)c3)c3NC(c(ccc(F)c3)c3F)=O)C2=O)cc1

InChI

InChI=1S/C26H25F2N3O4/c1-34-19-7-4-17(5-8-19)16-30-12-3-13-31(26(30)33)24-11-9-20(35-2)15-23(24)29-25(32)21-10-6-18(27)14-22(21)28/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,29,32)

InChI Key

NQXMEHUWOXSFEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.49

Polar Surface Area

56.977

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with V010-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0459?
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What is the minimum amount of V010-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0459
  • 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 V010-0459 available by request