T822-2229 Screening compound: 3-{[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}benzonitrile

T822-2229 Screening compound: 3-{[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}benzonitrile
T822-2229 Screening compound: 3-{[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-2229
3-{[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}benzonitrile

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

T822-2229

Molecular Formula

C19H23N3O3 (C19 H23 N3 O3)

Compound Name

3-{[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}benzonitrile

IUPAC name

3-[2-acetyl-4-(hydroxymethyl)-28-diazaspiro[4.5]decane-8-carbonyl]benzonitrile

SMILES

CC(N1CC(CC2)(CCN2C(c2cc(C#N)ccc2)=O)C(CO)C1)=O

InChI

InChI=1S/C19H23N3O3/c1-14(24)22-11-17(12-23)19(13-22)5-7-21(8-6-19)18(25)16-4-2-3-15(9-16)10-20/h2-4,9,17,23H,5-8,11-13H2,1H3/t17-/m1/s1

InChI Key

UXDCHNQIDJXNCW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD28995973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.105

Distribution Coefficient, logD

0.105

Water Solubility, LogSw

-1.52

Polar Surface Area

68.407

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

T822-2229 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with T822-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-2229?
Check Price and Availability of T822-2229, 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 T822-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-2229
  • 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 T822-2229 available by request