3305-0504 Screening compound: 4-[(E)-[(3-fluorophenyl)imino]methyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

3305-0504 Screening compound: 4-[(E)-[(3-fluorophenyl)imino]methyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
3305-0504 Screening compound: 4-[(E)-[(3-fluorophenyl)imino]methyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3305-0504
4-[(E)-[(3-fluorophenyl)imino]methyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

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

3305-0504

Molecular Formula

C25H19FN2O2 (C25 H19 FN2 O2)

Compound Name

4-[(E)-[(3-fluorophenyl)imino]methyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

IUPAC name

4-[(E)-[(3-fluorophenyl)imino]methyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

SMILES

Cc(cccc1)c1NC(c1cc2ccccc2c(/C=N/c2cccc(F)c2)c1O)=O

InChI

InChI=1S/C25H19FN2O2/c1-16-7-2-5-12-23(16)28-25(30)21-13-17-8-3-4-11-20(17)22(24(21)29)15-27-19-10-6-9-18(26)14-19/h2-15,29H,1H3,(H,28,30)

InChI Key

XKACWTSDTKDUTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00338863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.866

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-6.49

Polar Surface Area

45.967

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

3305-0504 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3305-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3305-0504?
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What is the minimum amount of 3305-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3305-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3305-0504
  • 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 3305-0504 available by request