V020-9547 Screening compound: 2-(4-fluorophenyl)-N-(4-{2-oxo-3-[(2,4,6-trimethylphenyl)methyl]-1,3-diazinan-1-yl}phenyl)acetamide

V020-9547 Screening compound: 2-(4-fluorophenyl)-N-(4-{2-oxo-3-[(2,4,6-trimethylphenyl)methyl]-1,3-diazinan-1-yl}phenyl)acetamide
V020-9547 Screening compound: 2-(4-fluorophenyl)-N-(4-{2-oxo-3-[(2,4,6-trimethylphenyl)methyl]-1,3-diazinan-1-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9547
2-(4-fluorophenyl)-N-(4-{2-oxo-3-[(2,4,6-trimethylphenyl)methyl]-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

V020-9547

Molecular Formula

C28H30FN3O2 (C28 H30 FN3 O2)

Compound Name

2-(4-fluorophenyl)-N-(4-{2-oxo-3-[(2,4,6-trimethylphenyl)methyl]-1,3-diazinan-1-yl}phenyl)acetamide

IUPAC name

2-(4-fluorophenyl)-N-(4-{2-oxo-3-[(246-trimethylphenyl)methyl]-13-diazinan-1-yl}phenyl)acetamide

SMILES

Cc1cc(C)c(CN(CCCN2c(cc3)ccc3NC(Cc(cc3)ccc3F)=O)C2=O)c(C)c1

InChI

InChI=1S/C28H30FN3O2/c1-19-15-20(2)26(21(3)16-19)18-31-13-4-14-32(28(31)34)25-11-9-24(10-12-25)30-27(33)17-22-5-7-23(29)8-6-22/h5-12,15-16H,4,13-14,17-18H2,1-3H3,(H,30,33)

InChI Key

BZIXVNYFNHBOQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-5.40

Polar Surface Area

42.675

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V020-9547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9547?
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What is the minimum amount of V020-9547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9547
  • 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 V020-9547 available by request