T787-6363 Screening compound: 2-[(5-methylthiophen-2-yl)methyl]-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-6363 Screening compound: 2-[(5-methylthiophen-2-yl)methyl]-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-6363 Screening compound: 2-[(5-methylthiophen-2-yl)methyl]-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-6363
2-[(5-methylthiophen-2-yl)methyl]-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

T787-6363

Molecular Formula

C22H29N3O2S (C22 H29 N3 O2 S)

Compound Name

2-[(5-methylthiophen-2-yl)methyl]-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-[(5-methylthiophen-2-yl)methyl]-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

Cc1ccc(CN(C2)CC3(CCOCC3)C2C(NCCc2ccncc2)=O)s1

InChI

InChI=1S/C22H29N3O2S/c1-17-2-3-19(28-17)14-25-15-20(22(16-25)7-12-27-13-8-22)21(26)24-11-6-18-4-9-23-10-5-18/h2-5,9-10,20H,6-8,11-16H2,1H3,(H,24,26)/t20-/m0/s1

InChI Key

IHDDPJAHLCPOGS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD28999568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

-1.846

Water Solubility, LogSw

-2.20

Polar Surface Area

46.734

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

11.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

T787-6363 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 T787-6363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-6363?
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What is the minimum amount of T787-6363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-6363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-6363
  • 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 T787-6363 available by request