T787-4858 Screening compound: 2-(1,3-benzodioxol-5-ylcarbonyl)-N~4~,N~4~-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-4858 Screening compound: 2-(1,3-benzodioxol-5-ylcarbonyl)-N~4~,N~4~-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-4858 Screening compound: 2-(1,3-benzodioxol-5-ylcarbonyl)-N~4~,N~4~-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-4858
2-(1,3-benzodioxol-5-ylcarbonyl)-N~4~,N~4~-dimethyl-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

T787-4858

Molecular Formula

C19H24N2O5 (C19 H24 N2 O5)

Compound Name

2-(1,3-benzodioxol-5-ylcarbonyl)-N~4~,N~4~-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(2H-13-benzodioxole-5-carbonyl)-NN-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

CN(C)C(C(CN(C1)C(c(cc2)cc3c2OCO3)=O)C11CCOCC1)=O

InChI

InChI=1S/C19H24N2O5/c1-20(2)18(23)14-10-21(11-19(14)5-7-24-8-6-19)17(22)13-3-4-15-16(9-13)26-12-25-15/h3-4,9,14H,5-8,10-12H2,1-2H3/t14-/m0/s1

InChI Key

QOJMXPSLSKJKAE-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.397

Distribution Coefficient, logD

0.397

Water Solubility, LogSw

-1.67

Polar Surface Area

58.065

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.89

T787-4858 in Drug Discovery

Included in Screening Libraries

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)

Soluble Diversity Library (15920 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)

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
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T787-4858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-4858?
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What is the minimum amount of T787-4858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-4858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-4858
  • 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 T787-4858 available by request