T787-6323 Screening compound: 2-(3,4-dimethylbenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-6323 Screening compound: 2-(3,4-dimethylbenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-6323 Screening compound: 2-(3,4-dimethylbenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-6323
2-(3,4-dimethylbenzoyl)-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

T787-6323

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

2-(3,4-dimethylbenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(34-dimethylbenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

Cc(cc1)c(C)cc1C(N(C1)CC2(CCOCC2)C1C(NCCc1ccncc1)=O)=O

InChI

InChI=1S/C25H31N3O3/c1-18-3-4-21(15-19(18)2)24(30)28-16-22(25(17-28)8-13-31-14-9-25)23(29)27-12-7-20-5-10-26-11-6-20/h3-6,10-11,15,22H,7-9,12-14,16-17H2,1-2H3,(H,27,29)/t22-/m0/s1

InChI Key

UFWXSFSMIFKKPH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD28999555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

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

1.727

Distribution Coefficient, logD

1.682

Water Solubility, LogSw

-1.94

Polar Surface Area

58.632

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

T787-6323 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
  • Cancer
Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T787-6323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-6323?
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What is the minimum amount of T787-6323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-6323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-6323
  • 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 T787-6323 available by request