J076-0409 Screening compound: 4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-2-yl)methyl]benzamide

J076-0409 Screening compound: 4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-2-yl)methyl]benzamide
J076-0409 Screening compound: 4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0409
4-{3-[(2-fluorophenyl)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

J076-0409

Molecular Formula

C24H23FN4O2 (C24 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N(CCCN1Cc(cccc2)c2F)C1=O)NCc1ncccc1

InChI

InChI=1S/C24H23FN4O2/c25-22-8-2-1-6-19(22)17-28-14-5-15-29(24(28)31)21-11-9-18(10-12-21)23(30)27-16-20-7-3-4-13-26-20/h1-4,6-13H,5,14-17H2,(H,27,30)

InChI Key

SBSRCZRWKTXXKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

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

3.430

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.47

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

20.80

J076-0409 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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

References: we are preparing a list of scientific research reports with J076-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0409?
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What is the minimum amount of J076-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0409
  • 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 J076-0409 available by request