S576-0816 Screening compound: 5-(3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl}pyrrolidin-1-yl)-2-methyl-2,3-dihydropyridazin-3-one

S576-0816 Screening compound: 5-(3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl}pyrrolidin-1-yl)-2-methyl-2,3-dihydropyridazin-3-one
S576-0816 Screening compound: 5-(3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl}pyrrolidin-1-yl)-2-methyl-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S576-0816
5-(3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl}pyrrolidin-1-yl)-2-methyl-2,3-dihydropyridazin-3-one

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

S576-0816

Molecular Formula

C22H24ClN7O3 (C22 H24 ClN7 O3)

Compound Name

5-(3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl}pyrrolidin-1-yl)-2-methyl-2,3-dihydropyridazin-3-one

IUPAC name

5-(3-{4-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]piperazine-1-carbonyl}pyrrolidin-1-yl)-2-methyl-23-dihydropyridazin-3-one

SMILES

CN1N=CC(N(CC2)CC2C(N(CC2)CCN2c2nc(-c(cc3)ccc3Cl)no2)=O)=CC1=O

InChI

InChI=1S/C22H24ClN7O3/c1-27-19(31)12-18(13-24-27)30-7-6-16(14-30)21(32)28-8-10-29(11-9-28)22-25-20(26-33-22)15-2-4-17(23)5-3-15/h2-5,12-13,16H,6-11,14H2,1H3

InChI Key

WFURYPJGSPQTHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.405

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-3.14

Polar Surface Area

84.401

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S576-0816 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S576-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S576-0816?
Check Price and Availability of S576-0816, 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 S576-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S576-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S576-0816
  • 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 S576-0816 available by request