S396-0063 Screening compound: N-(3-fluoro-4-methylphenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

S396-0063 Screening compound: N-(3-fluoro-4-methylphenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide
S396-0063 Screening compound: N-(3-fluoro-4-methylphenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0063
N-(3-fluoro-4-methylphenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

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

S396-0063

Molecular Formula

C18H21FN4O2 (C18 H21 FN4 O2)

Compound Name

N-(3-fluoro-4-methylphenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-[1-(6-oxo-16-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

SMILES

Cc(ccc(NC(CC(CCC1)CN1C(C=NN1)=CC1=O)=O)c1)c1F

InChI

InChI=1S/C18H21FN4O2/c1-12-4-5-14(8-16(12)19)21-17(24)7-13-3-2-6-23(11-13)15-9-18(25)22-20-10-15/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1

InChI Key

VNAQQFOYDAGMBO-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29003475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-3.24

Polar Surface Area

64.980

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

S396-0063 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S396-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0063?
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What is the minimum amount of S396-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0063
  • 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 S396-0063 available by request