S736-0287 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-(1-methyl-1H-pyrazole-5-carbonyl)-1,7-diazaspiro[3.5]nonane

S736-0287 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-(1-methyl-1H-pyrazole-5-carbonyl)-1,7-diazaspiro[3.5]nonane
S736-0287 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-(1-methyl-1H-pyrazole-5-carbonyl)-1,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0287
1-(3-fluorophenyl)-3-methoxy-7-(1-methyl-1H-pyrazole-5-carbonyl)-1,7-diazaspiro[3.5]nonane

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

S736-0287

Molecular Formula

C19H23FN4O2 (C19 H23 FN4 O2)

Compound Name

1-(3-fluorophenyl)-3-methoxy-7-(1-methyl-1H-pyrazole-5-carbonyl)-1,7-diazaspiro[3.5]nonane

IUPAC name

1-(3-fluorophenyl)-3-methoxy-7-(1-methyl-1H-pyrazole-5-carbonyl)-17-diazaspiro[3.5]nonane

SMILES

Cn1nccc1C(N(CC1)CCC1(C(C1)OC)N1c1cccc(F)c1)=O

InChI

InChI=1S/C19H23FN4O2/c1-22-16(6-9-21-22)18(25)23-10-7-19(8-11-23)17(26-2)13-24(19)15-5-3-4-14(20)12-15/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3/t17-/m1/s1

InChI Key

AMWKXPMFLMYLDO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30467814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.401

Distribution Coefficient, logD

1.389

Water Solubility, LogSw

-1.84

Polar Surface Area

40.287

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S736-0287 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S736-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0287?
Check Price and Availability of S736-0287, 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 S736-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0287
  • 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 S736-0287 available by request