T787-2604 Screening compound: N-cyclopentyl-2-(phenylsulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-2604 Screening compound: N-cyclopentyl-2-(phenylsulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-2604 Screening compound: N-cyclopentyl-2-(phenylsulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-2604
N-cyclopentyl-2-(phenylsulfonyl)-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

T787-2604

Molecular Formula

C20H28N2O4S (C20 H28 N2 O4 S)

Compound Name

N-cyclopentyl-2-(phenylsulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(benzenesulfonyl)-N-cyclopentyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C(CN(C1)S(c2ccccc2)(=O)=O)C11CCOCC1)NC1CCCC1

InChI

InChI=1S/C20H28N2O4S/c23-19(21-16-6-4-5-7-16)18-14-22(15-20(18)10-12-26-13-11-20)27(24,25)17-8-2-1-3-9-17/h1-3,8-9,16,18H,4-7,10-15H2,(H,21,23)/t18-/m0/s1

InChI Key

LNDUZCVHMHLRJF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD28995950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.211

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-2.59

Polar Surface Area

64.516

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

T787-2604 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 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:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T787-2604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-2604?
Check Price and Availability of T787-2604, 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 T787-2604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-2604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-2604
  • 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 T787-2604 available by request