J076-0232 Screening compound: 4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-2-yl)methyl]benzamide

J076-0232 Screening compound: 4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-2-yl)methyl]benzamide
J076-0232 Screening compound: 4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0232
4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-2-yl)methyl]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

J076-0232

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(CCCN2c(cc3)ccc3C(NCc3ncccc3)=O)C2=O)c1

InChI

InChI=1S/C25H26N4O2/c1-19-6-4-7-20(16-19)18-28-14-5-15-29(25(28)31)23-11-9-21(10-12-23)24(30)27-17-22-8-2-3-13-26-22/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H,27,30)

InChI Key

XGFDYJJXMMNGEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

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

3.651

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-3.77

Polar Surface Area

53.753

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

J076-0232 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J076-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0232?
Check Price and Availability of J076-0232, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J076-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0232
  • 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 J076-0232 available by request