T822-0323 Screening compound: {2-benzyl-8-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol

T822-0323 Screening compound: {2-benzyl-8-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol
T822-0323 Screening compound: {2-benzyl-8-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-0323
{2-benzyl-8-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol

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

T822-0323

Molecular Formula

C22H31N3O (C22 H31 N3 O)

Compound Name

{2-benzyl-8-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol

IUPAC name

{2-benzyl-8-[(1-methyl-1H-pyrrol-2-yl)methyl]-28-diazaspiro[4.5]decan-4-yl}methanol

SMILES

Cn1c(CN(CC2)CCC22C(CO)CN(Cc3ccccc3)C2)ccc1

InChI

InChI=1S/C22H31N3O/c1-23-11-5-8-21(23)16-24-12-9-22(10-13-24)18-25(15-20(22)17-26)14-19-6-3-2-4-7-19/h2-8,11,20,26H,9-10,12-18H2,1H3/t20-/m1/s1

InChI Key

DNFQKZQPCGYHKS-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD28994920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.593

Distribution Coefficient, logD

-0.969

Water Solubility, LogSw

-2.20

Polar Surface Area

27.678

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

T822-0323 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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)

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 T822-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-0323?
Check Price and Availability of T822-0323, 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 T822-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-0323
  • 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 T822-0323 available by request