V021-4503 Screening compound: 2-(4-methoxyphenyl)-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]acetamide

V021-4503 Screening compound: 2-(4-methoxyphenyl)-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]acetamide
V021-4503 Screening compound: 2-(4-methoxyphenyl)-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4503
2-(4-methoxyphenyl)-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]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

V021-4503

Molecular Formula

C27H26F3N3O3 (C27 H26 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CC(Nc2cccc(N(CCCN3Cc4cccc(C(F)(F)F)c4)C3=O)c2)=O)cc1

InChI

InChI=1S/C27H26F3N3O3/c1-36-24-11-9-19(10-12-24)16-25(34)31-22-7-3-8-23(17-22)33-14-4-13-32(26(33)35)18-20-5-2-6-21(15-20)27(28,29)30/h2-3,5-12,15,17H,4,13-14,16,18H2,1H3,(H,31,34)

InChI Key

PRPIDHRMHNIEML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.087

Distribution Coefficient, logD

5.087

Water Solubility, LogSw

-5.03

Polar Surface Area

50.219

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V021-4503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4503?
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What is the minimum amount of V021-4503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4503
  • 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 V021-4503 available by request