2860-1821 Screening compound: 3-(6,6-DIMETHYL-4-OXOTETRAHYDRO-2H-PYRAN-3-YL)-3-HYDROXY-1,3-DIHYDRO-2H-INDOL-2-ONE

2860-1821 Screening compound: 3-(6,6-DIMETHYL-4-OXOTETRAHYDRO-2H-PYRAN-3-YL)-3-HYDROXY-1,3-DIHYDRO-2H-INDOL-2-ONE
2860-1821 Screening compound: 3-(6,6-DIMETHYL-4-OXOTETRAHYDRO-2H-PYRAN-3-YL)-3-HYDROXY-1,3-DIHYDRO-2H-INDOL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2860-1821
3-(6,6-DIMETHYL-4-OXOTETRAHYDRO-2H-PYRAN-3-YL)-3-HYDROXY-1,3-DIHYDRO-2H-INDOL-2-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

2860-1821

Molecular Formula

C15H17NO4 (C15 H17 NO4)

Compound Name

3-(6,6-DIMETHYL-4-OXOTETRAHYDRO-2H-PYRAN-3-YL)-3-HYDROXY-1,3-DIHYDRO-2H-INDOL-2-ONE

IUPAC name

n/a

SMILES

CC(C)(C1)OCC(C(c(cccc2)c2N2)(C2=O)O)C1=O

InChI

InChI=1S/C15H17NO4/c1-14(2)7-12(17)10(8-20-14)15(19)9-5-3-4-6-11(9)16-13(15)18/h3-6,10,19H,7-8H2,1-2H3,(H,16,18)

InChI Key

KZVVSRYIOMVFDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00484221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.175

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-2.28

Polar Surface Area

61.240

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

9.00

2860-1821 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2860-1821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2860-1821?
Check Price and Availability of 2860-1821, 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 2860-1821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2860-1821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2860-1821
  • 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 2860-1821 available by request