T140-1030 Screening compound: 4-benzyl-8-[2-(3-methoxyphenyl)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

T140-1030 Screening compound: 4-benzyl-8-[2-(3-methoxyphenyl)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
T140-1030 Screening compound: 4-benzyl-8-[2-(3-methoxyphenyl)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound T140-1030
4-benzyl-8-[2-(3-methoxyphenyl)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

T140-1030

Molecular Formula

C23H26N2O5S (C23 H26 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CC(N(CC2)CCC2(N(Cc2ccccc2)C(C2)=O)S2(=O)=O)=O)c1

InChI

InChI=1S/C23H26N2O5S/c1-30-20-9-5-8-19(14-20)15-21(26)24-12-10-23(11-13-24)25(22(27)17-31(23,28)29)16-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3

InChI Key

SCXSDKPFBNCCNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.206

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.68

Polar Surface Area

68.695

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

T140-1030 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 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

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 T140-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T140-1030?
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What is the minimum amount of T140-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T140-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T140-1030
  • 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 T140-1030 available by request