T140-1139 Screening compound: ethyl 2-{[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]amino}acetate

T140-1139 Screening compound: ethyl 2-{[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]amino}acetate
T140-1139 Screening compound: ethyl 2-{[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound T140-1139
ethyl 2-{[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]amino}acetate

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

T140-1139

Molecular Formula

C19H25N3O6S (C19 H25 N3 O6 S)

Compound Name

ethyl 2-{[(4-benzyl-1,1,3-trioxo-1lambda~6~-thia-4,8-diazaspiro[4.5]dec-8-yl)carbonyl]amino}acetate

IUPAC name

ethyl 2-({4-benzyl-113-trioxo-1lambda6-thia-48-diazaspiro[4.5]decane-8-carbonyl}amino)acetate

SMILES

CCOC(CNC(N(CC1)CCC1(N(Cc1ccccc1)C(C1)=O)S1(=O)=O)=O)=O

InChI

InChI=1S/C19H25N3O6S/c1-2-28-17(24)12-20-18(25)21-10-8-19(9-11-21)22(16(23)14-29(19,26)27)13-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,20,25)

InChI Key

QRSDURLLLJUHFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.635

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-2.30

Polar Surface Area

92.251

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

T140-1139 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)

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

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

References: we are preparing a list of scientific research reports with T140-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T140-1139?
Check Price and Availability of T140-1139, 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 T140-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T140-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T140-1139
  • 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 T140-1139 available by request