T787-3229 Screening compound: 2-(cyclobutylcarbonyl)-N~4~-(4-fluorophenyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-3229 Screening compound: 2-(cyclobutylcarbonyl)-N~4~-(4-fluorophenyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-3229 Screening compound: 2-(cyclobutylcarbonyl)-N~4~-(4-fluorophenyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-3229
2-(cyclobutylcarbonyl)-N~4~-(4-fluorophenyl)-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

T787-3229

Molecular Formula

C20H25FN2O3 (C20 H25 FN2 O3)

Compound Name

2-(cyclobutylcarbonyl)-N~4~-(4-fluorophenyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-cyclobutanecarbonyl-N-(4-fluorophenyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C1CCC1)N(C1)CC2(CCOCC2)C1C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C20H25FN2O3/c21-15-4-6-16(7-5-15)22-18(24)17-12-23(19(25)14-2-1-3-14)13-20(17)8-10-26-11-9-20/h4-7,14,17H,1-3,8-13H2,(H,22,24)/t17-/m1/s1

InChI Key

JGEGWXIEBHPRBT-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.771

Distribution Coefficient, logD

1.769

Water Solubility, LogSw

-2.43

Polar Surface Area

48.563

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

T787-3229 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 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
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T787-3229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-3229?
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What is the minimum amount of T787-3229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-3229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-3229
  • 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 T787-3229 available by request