1069-0033 Screening compound: 3-amino-4-{[2-(piperidin-1-yl)ethyl]amino}-2H-chromen-2-one

1069-0033 Screening compound: 3-amino-4-{[2-(piperidin-1-yl)ethyl]amino}-2H-chromen-2-one
1069-0033 Screening compound: 3-amino-4-{[2-(piperidin-1-yl)ethyl]amino}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1069-0033
3-amino-4-{[2-(piperidin-1-yl)ethyl]amino}-2H-chromen-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

1069-0033

Molecular Formula

C16H21N3O2 (C16 H21 N3 O2)

Compound Name

3-amino-4-{[2-(piperidin-1-yl)ethyl]amino}-2H-chromen-2-one

IUPAC name

3-amino-4-{[2-(piperidin-1-yl)ethyl]amino}-2H-chromen-2-one

SMILES

NC(C(Oc1c2cccc1)=O)=C2NCCN1CCCCC1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.280

Distribution Coefficient, logD

-0.198

Water Solubility, LogSw

-2.02

Polar Surface Area

56.525

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

1069-0033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1069-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1069-0033?
Check Price and Availability of 1069-0033, 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 1069-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1069-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1069-0033
  • 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 1069-0033 available by request