S914-0032 Screening compound: 7-(1-methyl-1H-indazole-3-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one

S914-0032 Screening compound: 7-(1-methyl-1H-indazole-3-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one
S914-0032 Screening compound: 7-(1-methyl-1H-indazole-3-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S914-0032
7-(1-methyl-1H-indazole-3-carbonyl)-1,7-diazaspiro[4.4]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

S914-0032

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

7-(1-methyl-1H-indazole-3-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one

IUPAC name

7-(1-methyl-1H-indazole-3-carbonyl)-17-diazaspiro[4.4]nonan-2-one

SMILES

Cn1nc(C(N(CC2)CC2(CC2)NC2=O)=O)c2c1cccc2

InChI

InChI=1S/C16H18N4O2/c1-19-12-5-3-2-4-11(12)14(18-19)15(22)20-9-8-16(10-20)7-6-13(21)17-16/h2-5H,6-10H2,1H3,(H,17,21)/t16-/m0/s1

InChI Key

SNDZHTPTAXBYGJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31958294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.589

Distribution Coefficient, logD

0.589

Water Solubility, LogSw

-2.18

Polar Surface Area

57.550

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S914-0032 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S914-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S914-0032?
Check Price and Availability of S914-0032, 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 S914-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S914-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S914-0032
  • 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 S914-0032 available by request