J077-1118 Screening compound: N-(3-chlorophenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J077-1118 Screening compound: N-(3-chlorophenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J077-1118 Screening compound: N-(3-chlorophenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1118
N-(3-chlorophenyl)-3-{3-[(3-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

J077-1118

Molecular Formula

C24H21ClFN3O2 (C24 H21 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(N(CCCN2Cc3cc(F)ccc3)C2=O)ccc1)Nc1cccc(Cl)c1

InChI

InChI=1S/C24H21ClFN3O2/c25-19-7-3-9-21(15-19)27-23(30)18-6-2-10-22(14-18)29-12-4-11-28(24(29)31)16-17-5-1-8-20(26)13-17/h1-3,5-10,13-15H,4,11-12,16H2,(H,27,30)

InChI Key

HLRGMGNVBUAOPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.213

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.71

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with J077-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1118?
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What is the minimum amount of J077-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1118
  • 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 J077-1118 available by request