V020-6716 Screening compound: N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methoxybenzamide

V020-6716 Screening compound: N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methoxybenzamide
V020-6716 Screening compound: N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-6716
N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methoxybenzamide

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

V020-6716

Molecular Formula

C27H29N3O5 (C27 H29 N3 O5)

Compound Name

N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methoxybenzamide

IUPAC name

N-(2-{3-[(35-dimethoxyphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(cccc2)c2N(CCCN2Cc3cc(OC)cc(OC)c3)C2=O)=O)c1

InChI

InChI=1S/C27H29N3O5/c1-33-21-9-6-8-20(16-21)26(31)28-24-10-4-5-11-25(24)30-13-7-12-29(27(30)32)18-19-14-22(34-2)17-23(15-19)35-3/h4-6,8-11,14-17H,7,12-13,18H2,1-3H3,(H,28,31)

InChI Key

SSTPINATLMDEAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.25

Polar Surface Area

64.521

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V020-6716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-6716?
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What is the minimum amount of V020-6716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-6716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-6716
  • 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 V020-6716 available by request