S480-0218 Screening compound: N~1~-(cyclohexylmethyl)-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide

S480-0218 Screening compound: N~1~-(cyclohexylmethyl)-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide
S480-0218 Screening compound: N~1~-(cyclohexylmethyl)-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S480-0218
N~1~-(cyclohexylmethyl)-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide

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

S480-0218

Molecular Formula

C22H29N3O5S (C22 H29 N3 O5 S)

Compound Name

N~1~-(cyclohexylmethyl)-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide

IUPAC name

N-(cyclohexylmethyl)-4-({2488-tetraoxo-8lambda6-thia-13-diazaspiro[4.5]decan-3-yl}methyl)benzamide

SMILES

O=C(c1ccc(CN(C(C(CC2)(CCS2(=O)=O)N2)=O)C2=O)cc1)NCC1CCCCC1

InChI

InChI=1S/C22H29N3O5S/c26-19(23-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-25-20(27)22(24-21(25)28)10-12-31(29,30)13-11-22/h6-9,16H,1-5,10-15H2,(H,23,26)(H,24,28)

InChI Key

IZSLEBKBNQVKQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.634

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-2.55

Polar Surface Area

94.514

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

S480-0218 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S480-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0218?
Check Price and Availability of S480-0218, 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 S480-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0218
  • 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 S480-0218 available by request