J077-1270 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-fluorophenyl)benzamide

J077-1270 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-fluorophenyl)benzamide
J077-1270 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1270
3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-fluorophenyl)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

J077-1270

Molecular Formula

C24H21ClFN3O2 (C24 H21 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(N(CCCN2Cc(cc3)ccc3Cl)C2=O)c1)Nc(cccc1)c1F

InChI

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

InChI Key

FODRVJJXMJOUPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856806

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

4.910

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-5.19

Polar Surface Area

42.190

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 J077-1270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1270?
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What is the minimum amount of J077-1270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1270
  • 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 J077-1270 available by request