T822-0408 Screening compound: {2-benzyl-8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl}methanol

T822-0408 Screening compound: {2-benzyl-8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl}methanol
T822-0408 Screening compound: {2-benzyl-8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-0408
{2-benzyl-8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-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

T822-0408

Molecular Formula

C22H32N4O (C22 H32 N4 O)

Compound Name

{2-benzyl-8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl}methanol

IUPAC name

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

SMILES

CCn1ncc(CN(CC2)CCC22C(CO)CN(Cc3ccccc3)C2)c1

InChI

InChI=1S/C22H32N4O/c1-2-26-15-20(12-23-26)14-24-10-8-22(9-11-24)18-25(16-21(22)17-27)13-19-6-4-3-5-7-19/h3-7,12,15,21,27H,2,8-11,13-14,16-18H2,1H3/t21-/m1/s1

InChI Key

WLAXRVTYHFCBGZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29017586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

-4.135

Water Solubility, LogSw

-1.16

Polar Surface Area

39.282

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

13.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

T822-0408 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T822-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-0408?
Check Price and Availability of T822-0408, 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 T822-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-0408
  • 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 T822-0408 available by request