J076-0643 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[2-(morpholin-4-yl)ethyl]benzamide

J076-0643 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[2-(morpholin-4-yl)ethyl]benzamide
J076-0643 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0643
4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[2-(morpholin-4-yl)ethyl]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

J076-0643

Molecular Formula

C24H29FN4O3 (C24 H29 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N(CCCN1Cc(cc2)ccc2F)C1=O)NCCN1CCOCC1

InChI

InChI=1S/C24H29FN4O3/c25-21-6-2-19(3-7-21)18-28-11-1-12-29(24(28)31)22-8-4-20(5-9-22)23(30)26-10-13-27-14-16-32-17-15-27/h2-9H,1,10-18H2,(H,26,30)

InChI Key

DQWJSDJPRRKHMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

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

2.015

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-2.71

Polar Surface Area

55.943

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with J076-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0643?
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What is the minimum amount of J076-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0643
  • 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 J076-0643 available by request