S018-0311 Screening compound: 2-(benzenesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-4-carboxamide

Chemical Structure Depiction of ChemDiv screening compound S018-0311
2-(benzenesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-4-carboxamide

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

S018-0311

Molecular Formula

C₂₃H₂₉N₃O₃S (C23 H29 N3 O3 S)

Compound Name

2-(benzenesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(benzenesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C(CN(C1)S(c2ccccc2)(=O)=O)C11CCCCC1)NCCc1ccncc1

InChI

InChI=1S/C23H29N3O3S/c27-22(25-16-11-19-9-14-24-15-10-19)21-17-26(18-23(21)12-5-2-6-13-23)30(28,29)20-7-3-1-4-8-20/h1,3-4,7-10,14-15,21H,2,5-6,11-13,16-18H2,(H,25,27)/t21-/m0/s1

InChI Key

FIVKXJBQGDQCMF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27616492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.44

Polar Surface Area

65.786

Acid Dissociation Constant (pK_a)

13.06

Base Dissociation Constant (pK_b)

6.44

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

47.80

S018-0311 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators

Structure:

Mimetics
Cyclic compounds
Cyclic compounds
Mimetics

Targets:

Proteases

References: we are preparing a list of scientific research reports with S018-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S018-0311?
Check Price and Availability of S018-0311, 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 S018-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for S018-0311
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for S018-0311

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 S018-0311 available by request