S511-0481 Screening compound: N-cyclopropyl-2-{9-[(3-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

S511-0481 Screening compound: N-cyclopropyl-2-{9-[(3-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide
S511-0481 Screening compound: N-cyclopropyl-2-{9-[(3-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-0481
N-cyclopropyl-2-{9-[(3-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

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

S511-0481

Molecular Formula

C20H30N2O2S (C20 H30 N2 O2 S)

Compound Name

N-cyclopropyl-2-{9-[(3-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

IUPAC name

N-cyclopropyl-2-{9-[(3-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

SMILES

Cc1c(CN(CC2)CCC22OCCC(CC(NC3CC3)=O)C2)scc1

InChI

InChI=1S/C20H30N2O2S/c1-15-5-11-25-18(15)14-22-8-6-20(7-9-22)13-16(4-10-24-20)12-19(23)21-17-2-3-17/h5,11,16-17H,2-4,6-10,12-14H2,1H3,(H,21,23)/t16-/m0/s1

InChI Key

VHNZKUBKSUUFOV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28993567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-3.29

Polar Surface Area

35.847

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S511-0481 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S511-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-0481?
Check Price and Availability of S511-0481, 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 S511-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-0481
  • 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 S511-0481 available by request