T787-5361 Screening compound: N-cyclohexyl-2-(4-methoxybenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-5361 Screening compound: N-cyclohexyl-2-(4-methoxybenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-5361 Screening compound: N-cyclohexyl-2-(4-methoxybenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-5361
N-cyclohexyl-2-(4-methoxybenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

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

T787-5361

Molecular Formula

C22H32N2O5S (C22 H32 N2 O5 S)

Compound Name

N-cyclohexyl-2-(4-methoxybenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

N-cyclohexyl-2-(4-methoxybenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

COc(cc1)ccc1S(N(C1)CC2(CCOCC2)C1C(NC1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C22H32N2O5S/c1-28-18-7-9-19(10-8-18)30(26,27)24-15-20(22(16-24)11-13-29-14-12-22)21(25)23-17-5-3-2-4-6-17/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,25)/t20-/m0/s1

InChI Key

LCCMLKXKQSFLDO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD28996362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.42

Polar Surface Area

71.694

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

T787-5361 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T787-5361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-5361?
Check Price and Availability of T787-5361, 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 T787-5361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-5361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-5361
  • 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 T787-5361 available by request