J076-0482 Screening compound: 4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]benzamide

J076-0482 Screening compound: 4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]benzamide
J076-0482 Screening compound: 4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0482
4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]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

J076-0482

Molecular Formula

C26H26FN3O3 (C26 H26 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

OCCc(cc1)ccc1NC(c(cc1)ccc1N(CCCN1Cc(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C26H26FN3O3/c27-24-5-2-1-4-21(24)18-29-15-3-16-30(26(29)33)23-12-8-20(9-13-23)25(32)28-22-10-6-19(7-11-22)14-17-31/h1-2,4-13,31H,3,14-18H2,(H,28,32)

InChI Key

BQALRDMLENUXRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-3.95

Polar Surface Area

59.544

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J076-0482 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J076-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0482?
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What is the minimum amount of J076-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0482
  • 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 J076-0482 available by request