T891-0033 Screening compound: 3',4'-dihydro-1'H-spiro[oxane-4,2'-quinoxalin]-3'-one

T891-0033 Screening compound: 3',4'-dihydro-1'H-spiro[oxane-4,2'-quinoxalin]-3'-one
T891-0033 Screening compound: 3',4'-dihydro-1'H-spiro[oxane-4,2'-quinoxalin]-3'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T891-0033
3',4'-dihydro-1'H-spiro[oxane-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

T891-0033

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C1Nc(cccc2)c2NC11CCOCC1

InChI

InChI=1S/C12H14N2O2/c15-11-12(5-7-16-8-6-12)14-10-4-2-1-3-9(10)13-11/h1-4,14H,5-8H2,(H,13,15)

InChI Key

ZHODHBIWMREPRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24172214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-1.99

Polar Surface Area

45.179

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

T891-0033 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T891-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T891-0033?
Check Price and Availability of T891-0033, 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 T891-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T891-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T891-0033
  • 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 T891-0033 available by request