S396-0911 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-(prop-2-en-1-yl)acetamide

S396-0911 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-(prop-2-en-1-yl)acetamide
S396-0911 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0911
2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-(prop-2-en-1-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

S396-0911

Molecular Formula

C18H26N4O2 (C18 H26 N4 O2)

Compound Name

2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-(prop-2-en-1-yl)acetamide

IUPAC name

2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-yl]piperidin-3-yl}-N-(prop-2-en-1-yl)acetamide

SMILES

C=CCNC(CC(CCC1)CN1C(C=NN1CC2CC2)=CC1=O)=O

InChI

InChI=1S/C18H26N4O2/c1-2-7-19-17(23)9-15-4-3-8-21(12-15)16-10-18(24)22(20-11-16)13-14-5-6-14/h2,10-11,14-15H,1,3-9,12-13H2,(H,19,23)/t15-/m1/s1

InChI Key

DAMDUIYOJIYMSZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29003663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.163

Distribution Coefficient, logD

1.086

Water Solubility, LogSw

-1.56

Polar Surface Area

57.263

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

S396-0911 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S396-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0911?
Check Price and Availability of S396-0911, 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 S396-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0911
  • 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 S396-0911 available by request