J077-1044 Screening compound: N-[(2-chlorophenyl)methyl]-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J077-1044 Screening compound: N-[(2-chlorophenyl)methyl]-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J077-1044 Screening compound: N-[(2-chlorophenyl)methyl]-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1044
N-[(2-chlorophenyl)methyl]-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}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

J077-1044

Molecular Formula

C25H23ClFN3O2 (C25 H23 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(N(CCCN2Cc(cccc3)c3F)C2=O)ccc1)NCc(cccc1)c1Cl

InChI

InChI=1S/C25H23ClFN3O2/c26-22-11-3-1-7-19(22)16-28-24(31)18-9-5-10-21(15-18)30-14-6-13-29(25(30)32)17-20-8-2-4-12-23(20)27/h1-5,7-12,15H,6,13-14,16-17H2,(H,28,31)

InChI Key

LSJAGULRFOBBHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.77

Polar Surface Area

44.210

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with J077-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1044?
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What is the minimum amount of J077-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1044
  • 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 J077-1044 available by request