F516-0032 Screening compound: N-(4-butylphenyl)-4-{[6-(3-methylphenyl)pyridazin-3-yl]amino}benzamide

F516-0032 Screening compound: N-(4-butylphenyl)-4-{[6-(3-methylphenyl)pyridazin-3-yl]amino}benzamide
F516-0032 Screening compound: N-(4-butylphenyl)-4-{[6-(3-methylphenyl)pyridazin-3-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F516-0032
N-(4-butylphenyl)-4-{[6-(3-methylphenyl)pyridazin-3-yl]amino}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

F516-0032

Molecular Formula

C28H28N4O (C28 H28 N4 O)

Compound Name

N-(4-butylphenyl)-4-{[6-(3-methylphenyl)pyridazin-3-yl]amino}benzamide

IUPAC name

N-(4-butylphenyl)-4-{[6-(3-methylphenyl)pyridazin-3-yl]amino}benzamide

SMILES

CCCCc(cc1)ccc1NC(c(cc1)ccc1Nc(cc1)nnc1-c1cc(C)ccc1)=O

InChI

InChI=1S/C28H28N4O/c1-3-4-7-21-9-13-25(14-10-21)30-28(33)22-11-15-24(16-12-22)29-27-18-17-26(31-32-27)23-8-5-6-20(2)19-23/h5-6,8-19H,3-4,7H2,1-2H3,(H,29,32)(H,30,33)

InChI Key

UPUIQOSJQYLWFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.151

Distribution Coefficient, logD

7.150

Water Solubility, LogSw

-5.58

Polar Surface Area

54.281

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F516-0032 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F516-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F516-0032?
Check Price and Availability of F516-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F516-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F516-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F516-0032
  • 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 F516-0032 available by request