T687-0617 Screening compound: 4-(morpholinocarbonyl)-8-(phenylsulfonyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione

T687-0617 Screening compound: 4-(morpholinocarbonyl)-8-(phenylsulfonyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione
T687-0617 Screening compound: 4-(morpholinocarbonyl)-8-(phenylsulfonyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound T687-0617
4-(morpholinocarbonyl)-8-(phenylsulfonyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione

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

T687-0617

Molecular Formula

C19H26N2O6S2 (C19 H26 N2 O6 S2)

Compound Name

4-(morpholinocarbonyl)-8-(phenylsulfonyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione

IUPAC name

8-(benzenesulfonyl)-4-(morpholine-4-carbonyl)-1lambda6-thia-8-azaspiro[4.5]decane-11-dione

SMILES

O=C(C(CC1)C(CC2)(CCN2S(c2ccccc2)(=O)=O)S1(=O)=O)N1CCOCC1

InChI

InChI=1S/C19H26N2O6S2/c22-18(20-11-13-27-14-12-20)17-6-15-28(23,24)19(17)7-9-21(10-8-19)29(25,26)16-4-2-1-3-5-16/h1-5,17H,6-15H2/t17-/m0/s1

InChI Key

MXNQTVWYWYCEHO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30465024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.441

Distribution Coefficient, logD

0.441

Water Solubility, LogSw

-2.08

Polar Surface Area

85.318

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

T687-0617 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)

PPI Inhibitors Tripeptide Mimetics (23972 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T687-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T687-0617?
Check Price and Availability of T687-0617, 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 T687-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T687-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T687-0617
  • 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 T687-0617 available by request