T822-0237 Screening compound: [2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL](2-THIENYL)METHANONE

T822-0237 Screening compound: [2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL](2-THIENYL)METHANONE
T822-0237 Screening compound: [2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL](2-THIENYL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-0237
[2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL](2-THIENYL)METHANONE

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

T822-0237

Molecular Formula

C21H26N2O2S (C21 H26 N2 O2 S)

Compound Name

[2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL](2-THIENYL)METHANONE

IUPAC name

n/a

SMILES

OCC(CN(Cc1ccccc1)C1)C1(CC1)CCN1C(c1cccs1)=O

InChI

InChI=1S/C21H26N2O2S/c24-15-18-14-22(13-17-5-2-1-3-6-17)16-21(18)8-10-23(11-9-21)20(25)19-7-4-12-26-19/h1-7,12,18,24H,8-11,13-16H2/t18-/m1/s1

InChI Key

XKXZVHSTODKCDM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD28994909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

-0.801

Water Solubility, LogSw

-2.39

Polar Surface Area

38.714

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

T822-0237 in Drug Discovery

Included in Screening Libraries

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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T822-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-0237?
Check Price and Availability of T822-0237, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T822-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-0237
  • 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 T822-0237 available by request