6216-0103 Screening compound: 1-cyclohexyl-3-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}urea

6216-0103 Screening compound: 1-cyclohexyl-3-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}urea
6216-0103 Screening compound: 1-cyclohexyl-3-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6216-0103
1-cyclohexyl-3-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}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

6216-0103

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

1-cyclohexyl-3-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}urea

IUPAC name

1-cyclohexyl-3-{[2-methoxy-5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)phenyl]methyl}urea

SMILES

CN1N=C(c(cc2)cc(CNC(NC3CCCCC3)=O)c2OC)c(cccc2)c2C1=O

InChI

InChI=1S/C24H28N4O3/c1-28-23(29)20-11-7-6-10-19(20)22(27-28)16-12-13-21(31-2)17(14-16)15-25-24(30)26-18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15H2,1-2H3,(H2,25,26,30)

InChI Key

BFBWBIQWBSHHMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04166323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.471

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.74

Polar Surface Area

69.449

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6216-0103 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6216-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6216-0103?
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What is the minimum amount of 6216-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6216-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6216-0103
  • 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 6216-0103 available by request