T787-6449 Screening compound: N-[2-(pyridin-4-yl)ethyl]-2-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-6449 Screening compound: N-[2-(pyridin-4-yl)ethyl]-2-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-6449 Screening compound: N-[2-(pyridin-4-yl)ethyl]-2-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-6449
N-[2-(pyridin-4-yl)ethyl]-2-[(pyridin-4-yl)methyl]-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

T787-6449

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CN(Cc1ccncc1)C1)C11CCOCC1)NCCc1ccncc1

InChI

InChI=1S/C22H28N4O2/c27-21(25-12-5-18-1-8-23-9-2-18)20-16-26(15-19-3-10-24-11-4-19)17-22(20)6-13-28-14-7-22/h1-4,8-11,20H,5-7,12-17H2,(H,25,27)/t20-/m1/s1

InChI Key

ZSDHHYQVUXDCKP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD28999575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.022

Distribution Coefficient, logD

-1.712

Water Solubility, LogSw

-1.19

Polar Surface Area

55.144

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T787-6449 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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
  • Nervous system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T787-6449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-6449?
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What is the minimum amount of T787-6449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-6449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-6449
  • 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 T787-6449 available by request