J077-1108 Screening compound: 3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-3-yl)methyl]benzamide

J077-1108 Screening compound: 3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-3-yl)methyl]benzamide
J077-1108 Screening compound: 3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1108
3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(pyridin-3-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

J077-1108

Molecular Formula

C24H23FN4O2 (C24 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(N(CCCN2Cc3cccc(F)c3)C2=O)c1)NCc1cnccc1

InChI

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

InChI Key

NTXAGPYXLDRYTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223823

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

2.897

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.05

Polar Surface Area

53.728

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with J077-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1108?
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What is the minimum amount of J077-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1108
  • 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 J077-1108 available by request