S576-0213 Screening compound: N-cyclopentyl-1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinecarboxamide

S576-0213 Screening compound: N-cyclopentyl-1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinecarboxamide
S576-0213 Screening compound: N-cyclopentyl-1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S576-0213
N-cyclopentyl-1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinecarboxamide

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

S576-0213

Molecular Formula

C15H22N4O2 (C15 H22 N4 O2)

Compound Name

N-cyclopentyl-1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinecarboxamide

IUPAC name

n/a

SMILES

CN1N=CC(N(CC2)CC2C(NC2CCCC2)=O)=CC1=O

InChI

InChI=1S/C15H22N4O2/c1-18-14(20)8-13(9-16-18)19-7-6-11(10-19)15(21)17-12-4-2-3-5-12/h8-9,11-12H,2-7,10H2,1H3,(H,17,21)/t11-/m1/s1

InChI Key

MKMYOCLOUKDXJA-LLVKDONJSA-N

MDL Number (MFCD)

MFCD30462919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.767

Distribution Coefficient, logD

0.749

Water Solubility, LogSw

-1.01

Polar Surface Area

57.248

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S576-0213 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S576-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S576-0213?
Check Price and Availability of S576-0213, 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 S576-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S576-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S576-0213
  • 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 S576-0213 available by request