V014-4227 Screening compound: 2-(4-methoxyphenyl)-N-(5-methyl-2-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)acetamide

V014-4227 Screening compound: 2-(4-methoxyphenyl)-N-(5-methyl-2-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)acetamide
V014-4227 Screening compound: 2-(4-methoxyphenyl)-N-(5-methyl-2-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4227
2-(4-methoxyphenyl)-N-(5-methyl-2-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)acetamide

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

V014-4227

Molecular Formula

C28H31N3O3 (C28 H31 N3 O3)

Compound Name

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

IUPAC name

2-(4-methoxyphenyl)-N-(5-methyl-2-{3-[(3-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)acetamide

SMILES

Cc1cccc(CN(CCCN2c(ccc(C)c3)c3NC(Cc(cc3)ccc3OC)=O)C2=O)c1

InChI

InChI=1S/C28H31N3O3/c1-20-6-4-7-23(16-20)19-30-14-5-15-31(28(30)33)26-13-8-21(2)17-25(26)29-27(32)18-22-9-11-24(34-3)12-10-22/h4,6-13,16-17H,5,14-15,18-19H2,1-3H3,(H,29,32)

InChI Key

SERIOFBBSMCRII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.959

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-4.72

Polar Surface Area

49.220

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V014-4227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4227?
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What is the minimum amount of V014-4227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4227
  • 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 V014-4227 available by request