J077-0887 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J077-0887 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J077-0887 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-0887
N-(5-chloro-2,4-dimethoxyphenyl)-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

J077-0887

Molecular Formula

C27H28ClN3O4 (C27 H28 ClN3 O4)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-3-{3-[(4-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

Cc1ccc(CN(CCCN2c3cccc(C(Nc(c(OC)c4)cc(Cl)c4OC)=O)c3)C2=O)cc1

InChI

InChI=1S/C27H28ClN3O4/c1-18-8-10-19(11-9-18)17-30-12-5-13-31(27(30)33)21-7-4-6-20(14-21)26(32)29-23-15-22(28)24(34-2)16-25(23)35-3/h4,6-11,14-16H,5,12-13,17H2,1-3H3,(H,29,32)

InChI Key

VOLDKVZQPYQWSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.83

Polar Surface Area

57.451

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with J077-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-0887?
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What is the minimum amount of J077-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-0887
  • 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 J077-0887 available by request