J077-1225 Screening compound: 3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(oxolan-2-yl)methyl]benzamide

J077-1225 Screening compound: 3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(oxolan-2-yl)methyl]benzamide
J077-1225 Screening compound: 3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1225
3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(oxolan-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

J077-1225

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(N(CCCN2Cc(cc3)ccc3F)C2=O)c1)NCC1OCCC1

InChI

InChI=1S/C23H26FN3O3/c24-19-9-7-17(8-10-19)16-26-11-3-12-27(23(26)29)20-5-1-4-18(14-20)22(28)25-15-21-6-2-13-30-21/h1,4-5,7-10,14,21H,2-3,6,11-13,15-16H2,(H,25,28)/t21-/m1/s1

InChI Key

PZWMHHAURYBQJS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27223840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

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

2.583

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-2.93

Polar Surface Area

52.865

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with J077-1225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1225?
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What is the minimum amount of J077-1225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1225
  • 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 J077-1225 available by request