T822-2389 Screening compound: 1-[4-(HYDROXYMETHYL)-8-(1H-INDOL-4-YLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]-1-ETHANONE

T822-2389 Screening compound: 1-[4-(HYDROXYMETHYL)-8-(1H-INDOL-4-YLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]-1-ETHANONE
T822-2389 Screening compound: 1-[4-(HYDROXYMETHYL)-8-(1H-INDOL-4-YLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-2389
1-[4-(HYDROXYMETHYL)-8-(1H-INDOL-4-YLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]-1-ETHANONE

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

T822-2389

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

1-[4-(HYDROXYMETHYL)-8-(1H-INDOL-4-YLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]-1-ETHANONE

IUPAC name

1-[4-(hydroxymethyl)-8-[(1H-indol-4-yl)methyl]-28-diazaspiro[4.5]decan-2-yl]ethan-1-one

SMILES

CC(N1CC2(CCN(Cc3c(cc[nH]4)c4ccc3)CC2)C(CO)C1)=O

InChI

InChI=1S/C20H27N3O2/c1-15(25)23-12-17(13-24)20(14-23)6-9-22(10-7-20)11-16-3-2-4-19-18(16)5-8-21-19/h2-5,8,17,21,24H,6-7,9-14H2,1H3/t17-/m0/s1

InChI Key

DVECASVEEQAITJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28995989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.576

Distribution Coefficient, logD

0.885

Water Solubility, LogSw

-1.97

Polar Surface Area

48.216

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

T822-2389 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 T822-2389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-2389?
Check Price and Availability of T822-2389, 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 T822-2389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-2389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-2389
  • 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 T822-2389 available by request