T140-1231 Screening compound: 4-[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]benzonitrile

T140-1231 Screening compound: 4-[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]benzonitrile
T140-1231 Screening compound: 4-[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T140-1231
4-[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]benzonitrile

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

T140-1231

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

4-[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]benzonitrile

IUPAC name

4-{4-benzyl-113-trioxo-1lambda6-thia-48-diazaspiro[4.5]decane-8-carbonyl}benzonitrile

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCC1(N(Cc1ccccc1)C(C1)=O)S1(=O)=O)=O

InChI

InChI=1S/C22H21N3O4S/c23-14-17-6-8-19(9-7-17)21(27)24-12-10-22(11-13-24)25(20(26)16-30(22,28)29)15-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2

InChI Key

OFBJZEBUWZBTTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

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

1.481

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-2.13

Polar Surface Area

78.734

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

T140-1231 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 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

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
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 T140-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T140-1231?
Check Price and Availability of T140-1231, 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 T140-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T140-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T140-1231
  • 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 T140-1231 available by request