K913-0661 Screening compound: {4-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-5-METHYLTHIENO[2,3-D]PYRIMIDIN-6-YL}(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)METHANONE

K913-0661 Screening compound: {4-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-5-METHYLTHIENO[2,3-D]PYRIMIDIN-6-YL}(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)METHANONE
K913-0661 Screening compound: {4-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-5-METHYLTHIENO[2,3-D]PYRIMIDIN-6-YL}(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0661
{4-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-5-METHYLTHIENO[2,3-D]PYRIMIDIN-6-YL}(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)METHANONE

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

K913-0661

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

{4-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-5-METHYLTHIENO[2,3-D]PYRIMIDIN-6-YL}(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)METHANONE

IUPAC name

n/a

SMILES

Cc1c(C(N(CC2)CCC22OCCO2)=O)sc2ncnc(N(CC3)Cc4c3cccc4)c12

InChI

InChI=1S/C24H26N4O3S/c1-16-19-21(28-9-6-17-4-2-3-5-18(17)14-28)25-15-26-22(19)32-20(16)23(29)27-10-7-24(8-11-27)30-12-13-31-24/h2-5,15H,6-14H2,1H3

InChI Key

LDKOXAQDVXOAQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.90

Polar Surface Area

55.286

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.00

K913-0661 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
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 K913-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0661?
Check Price and Availability of K913-0661, 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 K913-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0661
  • 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 K913-0661 available by request