T787-6474 Screening compound: 2-(2-cyclohexylacetyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-6474 Screening compound: 2-(2-cyclohexylacetyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-6474 Screening compound: 2-(2-cyclohexylacetyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-6474
2-(2-cyclohexylacetyl)-N-[2-(pyridin-4-yl)ethyl]-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

T787-6474

Molecular Formula

C24H35N3O3 (C24 H35 N3 O3)

Compound Name

2-(2-cyclohexylacetyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(2-cyclohexylacetyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(CC1CCCCC1)N(C1)CC2(CCOCC2)C1C(NCCc1ccncc1)=O

InChI

InChI=1S/C24H35N3O3/c28-22(16-20-4-2-1-3-5-20)27-17-21(24(18-27)9-14-30-15-10-24)23(29)26-13-8-19-6-11-25-12-7-19/h6-7,11-12,20-21H,1-5,8-10,13-18H2,(H,26,29)/t21-/m1/s1

InChI Key

DSROFKZRIYMKGQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29018097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-2.29

Polar Surface Area

58.297

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.83

T787-6474 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GABA Library (7115 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Eye
  • Nervous system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T787-6474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-6474?
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What is the minimum amount of T787-6474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-6474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-6474
  • 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 T787-6474 available by request