S687-1627 Screening compound: 9-(2,3-dihydro-1H-indene-5-sulfonyl)-4-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane

S687-1627 Screening compound: 9-(2,3-dihydro-1H-indene-5-sulfonyl)-4-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane
S687-1627 Screening compound: 9-(2,3-dihydro-1H-indene-5-sulfonyl)-4-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S687-1627
9-(2,3-dihydro-1H-indene-5-sulfonyl)-4-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane

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

S687-1627

Molecular Formula

C24H33N3O5S (C24 H33 N3 O5 S)

Compound Name

9-(2,3-dihydro-1H-indene-5-sulfonyl)-4-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

9-(23-dihydro-1H-indene-5-sulfonyl)-4-{[3-(2-methoxyethyl)-124-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane

SMILES

COCCc1noc(CC2CC(CC3)(CCN3S(c3cc(CCC4)c4cc3)(=O)=O)OCC2)n1

InChI

InChI=1S/C24H33N3O5S/c1-30-13-8-22-25-23(32-26-22)15-18-7-14-31-24(17-18)9-11-27(12-10-24)33(28,29)21-6-5-19-3-2-4-20(19)16-21/h5-6,16,18H,2-4,7-15,17H2,1H3/t18-/m0/s1

InChI Key

UFRUZILADDGULN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31997064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.14

Polar Surface Area

79.514

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S687-1627 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S687-1627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S687-1627?
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What is the minimum amount of S687-1627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S687-1627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S687-1627
  • 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 S687-1627 available by request