V028-9730 Screening compound: N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide

V028-9730 Screening compound: N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide
V028-9730 Screening compound: N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9730
N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)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

V028-9730

Molecular Formula

C26H26ClN3O3 (C26 H26 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CC(Nc2cccc(N(CCCN3Cc(cccc4)c4Cl)C3=O)c2)=O)c1

InChI

InChI=1S/C26H26ClN3O3/c1-33-23-11-4-7-19(15-23)16-25(31)28-21-9-5-10-22(17-21)30-14-6-13-29(26(30)32)18-20-8-2-3-12-24(20)27/h2-5,7-12,15,17H,6,13-14,16,18H2,1H3,(H,28,31)

InChI Key

HLCKQBYHPGBCTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.96

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

5.219

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.73

Polar Surface Area

50.219

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V028-9730 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-9730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9730?
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What is the minimum amount of V028-9730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9730
  • 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 V028-9730 available by request