T822-0288 Screening compound: 1-[2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL]-2-(3-FLUOROPHENYL)-1-ETHANONE

T822-0288 Screening compound: 1-[2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL]-2-(3-FLUOROPHENYL)-1-ETHANONE
T822-0288 Screening compound: 1-[2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL]-2-(3-FLUOROPHENYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-0288
1-[2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL]-2-(3-FLUOROPHENYL)-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

T822-0288

Molecular Formula

C24H29FN2O2 (C24 H29 FN2 O2)

Compound Name

1-[2-BENZYL-4-(HYDROXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-8-YL]-2-(3-FLUOROPHENYL)-1-ETHANONE

IUPAC name

n/a

SMILES

OCC(CN(Cc1ccccc1)C1)C1(CC1)CCN1C(Cc1cccc(F)c1)=O

InChI

InChI=1S/C24H29FN2O2/c25-22-8-4-7-20(13-22)14-23(29)27-11-9-24(10-12-27)18-26(16-21(24)17-28)15-19-5-2-1-3-6-19/h1-8,13,21,28H,9-12,14-18H2/t21-/m1/s1

InChI Key

KVHUWDLFGBRVBP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD28994915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

-0.491

Water Solubility, LogSw

-3.07

Polar Surface Area

37.168

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

T822-0288 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T822-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-0288?
Check Price and Availability of T822-0288, 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 T822-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-0288
  • 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 T822-0288 available by request