J076-0058 Screening compound: N-(3,4-dimethoxyphenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J076-0058 Screening compound: N-(3,4-dimethoxyphenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J076-0058 Screening compound: N-(3,4-dimethoxyphenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0058
N-(3,4-dimethoxyphenyl)-4-{3-[(2-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

J076-0058

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

Cc1c(CN(CCCN2c(cc3)ccc3C(Nc(cc3)cc(OC)c3OC)=O)C2=O)cccc1

InChI

InChI=1S/C27H29N3O4/c1-19-7-4-5-8-21(19)18-29-15-6-16-30(27(29)32)23-12-9-20(10-13-23)26(31)28-22-11-14-24(33-2)25(17-22)34-3/h4-5,7-14,17H,6,15-16,18H2,1-3H3,(H,28,31)

InChI Key

JPAHJQZDZMZUNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

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

4.687

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-4.41

Polar Surface Area

58.149

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with J076-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0058?
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What is the minimum amount of J076-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0058
  • 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 J076-0058 available by request