T140-0844 Screening compound: 8-[2-(4-chlorophenoxy)acetyl]-4-(2-methoxyethyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

T140-0844 Screening compound: 8-[2-(4-chlorophenoxy)acetyl]-4-(2-methoxyethyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
T140-0844 Screening compound: 8-[2-(4-chlorophenoxy)acetyl]-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 T140-0844
8-[2-(4-chlorophenoxy)acetyl]-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

T140-0844

Molecular Formula

C18H23ClN2O6S (C18 H23 ClN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(C(CC1)(CCN1C(COc(cc1)ccc1Cl)=O)S(C1)(=O)=O)C1=O

InChI

InChI=1S/C18H23ClN2O6S/c1-26-11-10-21-17(23)13-28(24,25)18(21)6-8-20(9-7-18)16(22)12-27-15-4-2-14(19)3-5-15/h2-5H,6-13H2,1H3

InChI Key

IEXFHUFBFWMVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.421

Distribution Coefficient, logD

0.403

Water Solubility, LogSw

-2.47

Polar Surface Area

77.242

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

T140-0844 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T140-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T140-0844?
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What is the minimum amount of T140-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T140-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T140-0844
  • 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 T140-0844 available by request