C561-0913 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}propan-1-one

C561-0913 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}propan-1-one
C561-0913 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0913
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-{1,4-dioxa-8-azaspiro[4.5]decan-8-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

C561-0913

Molecular Formula

C24H27ClN4O3 (C24 H27 ClN4 O3)

Compound Name

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

IUPAC name

3-[2-(4-chlorophenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}propan-1-one

SMILES

Cc1c(CCC(N(CC2)CCC22OCCO2)=O)c(C)nc2cc(-c(cc3)ccc3Cl)nn12

InChI

InChI=1S/C24H27ClN4O3/c1-16-20(7-8-23(30)28-11-9-24(10-12-28)31-13-14-32-24)17(2)29-22(26-16)15-21(27-29)18-3-5-19(25)6-4-18/h3-6,15H,7-14H2,1-2H3

InChI Key

UOVSOKCTVXXODJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.96

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

3.339

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.84

Polar Surface Area

50.279

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C561-0913 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0913?
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What is the minimum amount of C561-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0913
  • 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 C561-0913 available by request