T787-6457 Screening compound: 2-(3-cyclopentylpropanoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-6457 Screening compound: 2-(3-cyclopentylpropanoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-6457 Screening compound: 2-(3-cyclopentylpropanoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-6457
2-(3-cyclopentylpropanoyl)-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

T787-6457

Molecular Formula

C24H35N3O3 (C24 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1CCCC1)N(C1)CC2(CCOCC2)C1C(NCCc1ccncc1)=O

InChI

InChI=1S/C24H35N3O3/c28-22(6-5-19-3-1-2-4-19)27-17-21(24(18-27)10-15-30-16-11-24)23(29)26-14-9-20-7-12-25-13-8-20/h7-8,12-13,19,21H,1-6,9-11,14-18H2,(H,26,29)/t21-/m1/s1

InChI Key

ROBHLKCXYAFDJS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD28999577

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.434

Distribution Coefficient, logD

1.389

Water Solubility, LogSw

-1.66

Polar Surface Area

58.662

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.80

T787-6457 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)

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 T787-6457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-6457?
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What is the minimum amount of T787-6457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-6457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-6457
  • 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 T787-6457 available by request