T822-2277 Screening compound: 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one

T822-2277 Screening compound: 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
T822-2277 Screening compound: 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-2277
1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one

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

T822-2277

Molecular Formula

C20H28N2O3 (C20 H28 N2 O3)

Compound Name

1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one

IUPAC name

1-[2-acetyl-4-(hydroxymethyl)-28-diazaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one

SMILES

CC(N1CC(CC2)(CCN2C(CCc2ccccc2)=O)C(CO)C1)=O

InChI

InChI=1S/C20H28N2O3/c1-16(24)22-13-18(14-23)20(15-22)9-11-21(12-10-20)19(25)8-7-17-5-3-2-4-6-17/h2-6,18,23H,7-15H2,1H3/t18-/m1/s1

InChI Key

NTJKWWWXFSDOTH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32262291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.156

Distribution Coefficient, logD

1.156

Water Solubility, LogSw

-1.47

Polar Surface Area

50.824

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

T822-2277 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with T822-2277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-2277?
Check Price and Availability of T822-2277, 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 T822-2277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-2277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-2277
  • 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 T822-2277 available by request