T787-6438 Screening compound: N~4~-[2-(4-pyridyl)ethyl]-2-(3-thienylcarbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-6438 Screening compound: N~4~-[2-(4-pyridyl)ethyl]-2-(3-thienylcarbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-6438 Screening compound: N~4~-[2-(4-pyridyl)ethyl]-2-(3-thienylcarbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-6438
N~4~-[2-(4-pyridyl)ethyl]-2-(3-thienylcarbonyl)-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

T787-6438

Molecular Formula

C21H25N3O3S (C21 H25 N3 O3 S)

Compound Name

N~4~-[2-(4-pyridyl)ethyl]-2-(3-thienylcarbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

n/a

SMILES

O=C(C(CN(C1)C(c2cscc2)=O)C11CCOCC1)NCCc1ccncc1

InChI

InChI=1S/C21H25N3O3S/c25-19(23-9-3-16-1-7-22-8-2-16)18-13-24(20(26)17-4-12-28-14-17)15-21(18)5-10-27-11-6-21/h1-2,4,7-8,12,14,18H,3,5-6,9-11,13,15H2,(H,23,25)/t18-/m0/s1

InChI Key

MRZQVDNDOTVSNV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD28999573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

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

0.639

Distribution Coefficient, logD

0.595

Water Solubility, LogSw

-1.84

Polar Surface Area

59.650

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

T787-6438 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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)

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
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T787-6438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-6438?
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What is the minimum amount of T787-6438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-6438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-6438
  • 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 T787-6438 available by request