S480-0215 Screening compound: methyl 2-({4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzoyl}amino)acetate

S480-0215 Screening compound: methyl 2-({4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzoyl}amino)acetate
S480-0215 Screening compound: methyl 2-({4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzoyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S480-0215
methyl 2-({4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzoyl}amino)acetate

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

S480-0215

Molecular Formula

C18H21N3O7S (C18 H21 N3 O7 S)

Compound Name

methyl 2-({4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzoyl}amino)acetate

IUPAC name

methyl 2-{[4-({2488-tetraoxo-8lambda6-thia-13-diazaspiro[4.5]decan-3-yl}methyl)phenyl]formamido}acetate

SMILES

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

InChI

InChI=1S/C18H21N3O7S/c1-28-14(22)10-19-15(23)13-4-2-12(3-5-13)11-21-16(24)18(20-17(21)25)6-8-29(26,27)9-7-18/h2-5H,6-11H2,1H3,(H,19,23)(H,20,25)

InChI Key

MCSYHLCPESUSAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.754

Distribution Coefficient, logD

-0.754

Water Solubility, LogSw

-2.05

Polar Surface Area

115.172

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

S480-0215 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S480-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0215?
Check Price and Availability of S480-0215, 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 S480-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0215
  • 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 S480-0215 available by request