C561-0805 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

C561-0805 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
C561-0805 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0805
1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-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

C561-0805

Molecular Formula

C25H29FN4O3 (C25 H29 FN4 O3)

Compound Name

1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(4-fluorophenyl)-257-trimethylpyrazolo[15-a]pyrimidin-6-yl]propan-1-one

SMILES

Cc1nn2c(C)c(CCC(N(CC3)CCC33OCCO3)=O)c(C)nc2c1-c(cc1)ccc1F

InChI

InChI=1S/C25H29FN4O3/c1-16-21(8-9-22(31)29-12-10-25(11-13-29)32-14-15-33-25)18(3)30-24(27-16)23(17(2)28-30)19-4-6-20(26)7-5-19/h4-7H,8-15H2,1-3H3

InChI Key

YSHUQTAUMGCHRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.516

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-2.45

Polar Surface Area

51.402

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C561-0805 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 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:
  • Cancer

References: we are preparing a list of scientific research reports with C561-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0805?
Check Price and Availability of C561-0805, 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 C561-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0805
  • 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 C561-0805 available by request