J076-0367 Screening compound: 4-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-phenylethyl)benzamide

J076-0367 Screening compound: 4-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-phenylethyl)benzamide
J076-0367 Screening compound: 4-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0367
4-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(2-phenylethyl)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

J076-0367

Molecular Formula

C26H26FN3O2 (C26 H26 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N(CCCN1Cc2cccc(F)c2)C1=O)NCCc1ccccc1

InChI

InChI=1S/C26H26FN3O2/c27-23-9-4-8-21(18-23)19-29-16-5-17-30(26(29)32)24-12-10-22(11-13-24)25(31)28-15-14-20-6-2-1-3-7-20/h1-4,6-13,18H,5,14-17,19H2,(H,28,31)

InChI Key

RLNXJISECNVENZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.23

Polar Surface Area

44.052

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with J076-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0367?
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What is the minimum amount of J076-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0367
  • 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 J076-0367 available by request