T140-0766 Screening compound: 8-(3,5-difluorobenzoyl)-4-(2-methoxyethyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

T140-0766 Screening compound: 8-(3,5-difluorobenzoyl)-4-(2-methoxyethyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
T140-0766 Screening compound: 8-(3,5-difluorobenzoyl)-4-(2-methoxyethyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound T140-0766
8-(3,5-difluorobenzoyl)-4-(2-methoxyethyl)-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

T140-0766

Molecular Formula

C17H20F2N2O5S (C17 H20 F2 N2 O5 S)

Compound Name

8-(3,5-difluorobenzoyl)-4-(2-methoxyethyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

IUPAC name

8-(35-difluorobenzoyl)-4-(2-methoxyethyl)-1lambda6-thia-48-diazaspiro[4.5]decane-113-trione

SMILES

COCCN(C(CC1)(CCN1C(c1cc(F)cc(F)c1)=O)S(C1)(=O)=O)C1=O

InChI

InChI=1S/C17H20F2N2O5S/c1-26-7-6-21-15(22)11-27(24,25)17(21)2-4-20(5-3-17)16(23)12-8-13(18)10-14(19)9-12/h8-10H,2-7,11H2,1H3

InChI Key

UXEDJUXSYJGGHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.515

Distribution Coefficient, logD

0.497

Water Solubility, LogSw

-1.62

Polar Surface Area

70.271

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

T140-0766 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T140-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T140-0766?
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What is the minimum amount of T140-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T140-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T140-0766
  • 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 T140-0766 available by request