V028-9291 Screening compound: 1-(3-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea

V028-9291 Screening compound: 1-(3-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea
V028-9291 Screening compound: 1-(3-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9291
1-(3-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(3-methoxyphenyl)urea

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

V028-9291

Molecular Formula

C27H30N4O5 (C27 H30 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(Nc2cccc(N(CCCN3Cc4cc(OC)cc(OC)c4)C3=O)c2)=O)c1

InChI

InChI=1S/C27H30N4O5/c1-34-23-10-5-8-21(16-23)29-26(32)28-20-7-4-9-22(15-20)31-12-6-11-30(27(31)33)18-19-13-24(35-2)17-25(14-19)36-3/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3,(H2,28,29,32)

InChI Key

BTCJEALDZPIWRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.21

Polar Surface Area

74.731

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V028-9291 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V028-9291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9291?
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What is the minimum amount of V028-9291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9291
  • 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 V028-9291 available by request