S396-0036 Screening compound: N-(3-chlorophenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

S396-0036 Screening compound: N-(3-chlorophenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide
S396-0036 Screening compound: N-(3-chlorophenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0036
N-(3-chlorophenyl)-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

S396-0036

Molecular Formula

C17H19ClN4O2 (C17 H19 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(CCC1)CN1C(C=NN1)=CC1=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C17H19ClN4O2/c18-13-4-1-5-14(8-13)20-16(23)7-12-3-2-6-22(11-12)15-9-17(24)21-19-10-15/h1,4-5,8-10,12H,2-3,6-7,11H2,(H,20,23)(H,21,24)/t12-/m1/s1

InChI Key

UOYMQBBXLLBRBM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29004877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.82

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

3.152

Distribution Coefficient, logD

3.105

Water Solubility, LogSw

-3.54

Polar Surface Area

64.980

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

S396-0036 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S396-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0036?
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What is the minimum amount of S396-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0036
  • 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 S396-0036 available by request