T140-0399 Screening compound: 4-methyl-8-[2-(3-methylphenoxy)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

T140-0399 Screening compound: 4-methyl-8-[2-(3-methylphenoxy)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
T140-0399 Screening compound: 4-methyl-8-[2-(3-methylphenoxy)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound T140-0399
4-methyl-8-[2-(3-methylphenoxy)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

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

T140-0399

Molecular Formula

C17H22N2O5S (C17 H22 N2 O5 S)

Compound Name

4-methyl-8-[2-(3-methylphenoxy)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

IUPAC name

4-methyl-8-[2-(3-methylphenoxy)acetyl]-1lambda6-thia-48-diazaspiro[4.5]decane-113-trione

SMILES

Cc1cccc(OCC(N(CC2)CCC2(N(C)C(C2)=O)S2(=O)=O)=O)c1

InChI

InChI=1S/C17H22N2O5S/c1-13-4-3-5-14(10-13)24-11-15(20)19-8-6-17(7-9-19)18(2)16(21)12-25(17,22)23/h3-5,10H,6-9,11-12H2,1-2H3

InChI Key

MHBWHXOFPZMWOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.259

Distribution Coefficient, logD

0.193

Water Solubility, LogSw

-2.10

Polar Surface Area

68.687

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

T140-0399 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with T140-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T140-0399?
Check Price and Availability of T140-0399, 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 T140-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T140-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T140-0399
  • 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 T140-0399 available by request