S687-0589 Screening compound: 1H-INDAZOL-3-YL(4-{[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1-OXA-9-AZASPIRO[5.5]UNDEC-9-YL)METHANONE

Chemical Structure Depiction of ChemDiv screening compound S687-0589
1H-INDAZOL-3-YL(4-{[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1-OXA-9-AZASPIRO[5.5]UNDEC-9-YL)METHANONE

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S687-0589

Molecular Formula

C₂₂H₂₇N₅O₄ (C22 H27 N5 O4)

Compound Name

1H-INDAZOL-3-YL(4-{[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1-OXA-9-AZASPIRO[5.5]UNDEC-9-YL)METHANONE

IUPAC name

n/a

SMILES

COCc1noc(CC2CC(CC3)(CCN3C(c3n[nH]c4c3cccc4)=O)OCC2)n1

InChI

InChI=1S/C22H27N5O4/c1-29-14-18-23-19(31-26-18)12-15-6-11-30-22(13-15)7-9-27(10-8-22)21(28)20-16-4-2-3-5-17(16)24-25-20/h2-5,15H,6-14H2,1H3,(H,24,25)/t15-/m0/s1

InChI Key

ISQPARDJTVWUBC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29015957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.76

Polar Surface Area

87.493

Acid Dissociation Constant (pK_a)

14.84

Base Dissociation Constant (pK_b)

-0.52

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

54.50

S687-0589 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein Kinases Inhibitors Library (36801 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)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Nervous system
Hemic and lymphatic
Cardiovascular
Cancer
Digestive system
Female
Hemic and lymphatic
Metabolic
Immune system

Targets:

GPCR
Kinases
Others

Mechanism of action:

Receptor's ligands
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 S687-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S687-0589?
Check Price and Availability of S687-0589, 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 S687-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for S687-0589
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for S687-0589

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 S687-0589 available by request