S645-0248 Screening compound: 1-(CYCLOPROPYLMETHYL)-3-METHOXY-7-(1-METHYL-1H-PYRAZOLE-4-CARBONYL)-1,7-DIAZASPIRO[3.5]NONAN-2-ONE

S645-0248 Screening compound: 1-(CYCLOPROPYLMETHYL)-3-METHOXY-7-(1-METHYL-1H-PYRAZOLE-4-CARBONYL)-1,7-DIAZASPIRO[3.5]NONAN-2-ONE
S645-0248 Screening compound: 1-(CYCLOPROPYLMETHYL)-3-METHOXY-7-(1-METHYL-1H-PYRAZOLE-4-CARBONYL)-1,7-DIAZASPIRO[3.5]NONAN-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S645-0248
1-(CYCLOPROPYLMETHYL)-3-METHOXY-7-(1-METHYL-1H-PYRAZOLE-4-CARBONYL)-1,7-DIAZASPIRO[3.5]NONAN-2-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

S645-0248

Molecular Formula

C17H24N4O3 (C17 H24 N4 O3)

Compound Name

1-(CYCLOPROPYLMETHYL)-3-METHOXY-7-(1-METHYL-1H-PYRAZOLE-4-CARBONYL)-1,7-DIAZASPIRO[3.5]NONAN-2-ONE

IUPAC name

1-(cyclopropylmethyl)-3-methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-17-diazaspiro[3.5]nonan-2-one

SMILES

Cn1ncc(C(N(CC2)CCC2(C2OC)N(CC3CC3)C2=O)=O)c1

InChI

InChI=1S/C17H24N4O3/c1-19-11-13(9-18-19)15(22)20-7-5-17(6-8-20)14(24-2)16(23)21(17)10-12-3-4-12/h9,11-12,14H,3-8,10H2,1-2H3/t14-/m0/s1

InChI Key

IZOWVURNYSXFJY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31995927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.174

Distribution Coefficient, logD

-0.174

Water Solubility, LogSw

0.08

Polar Surface Area

54.964

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

S645-0248 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S645-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S645-0248?
Check Price and Availability of S645-0248, 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 S645-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S645-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S645-0248
  • 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 S645-0248 available by request