T890-0008 Screening compound: 1-acetyl-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one

T890-0008 Screening compound: 1-acetyl-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one
T890-0008 Screening compound: 1-acetyl-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T890-0008
1-acetyl-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-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

T890-0008

Molecular Formula

C14H17N3O2 (C14 H17 N3 O2)

Compound Name

1-acetyl-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one

IUPAC name

1-acetyl-3'4'-dihydro-1'H-spiro[piperidine-42'-quinoxalin]-3'-one

SMILES

CC(N(CC1)CCC11Nc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C14H17N3O2/c1-10(18)17-8-6-14(7-9-17)13(19)15-11-4-2-3-5-12(11)16-14/h2-5,16H,6-9H2,1H3,(H,15,19)

InChI Key

VHQNLEPPJJTIMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.846

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-1.99

Polar Surface Area

54.466

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

T890-0008 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T890-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T890-0008?
Check Price and Availability of T890-0008, 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 T890-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T890-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T890-0008
  • 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 T890-0008 available by request