J077-0883 Screening compound: N-(4-methoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J077-0883 Screening compound: N-(4-methoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J077-0883 Screening compound: N-(4-methoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-0883
N-(4-methoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

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

J077-0883

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

N-(4-methoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-(4-methoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

Cc1ccc(CN(CCCN2c3cc(C(Nc(cc4)ccc4OC)=O)ccc3)C2=O)cc1

InChI

InChI=1S/C26H27N3O3/c1-19-7-9-20(10-8-19)18-28-15-4-16-29(26(28)31)23-6-3-5-21(17-23)25(30)27-22-11-13-24(32-2)14-12-22/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,27,30)

InChI Key

SVURUWZPRCJWLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.47

Polar Surface Area

50.432

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J077-0883 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with J077-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-0883?
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What is the minimum amount of J077-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-0883
  • 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 J077-0883 available by request