C561-1180 Screening compound: 3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide

C561-1180 Screening compound: 3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
C561-1180 Screening compound: 3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1180
3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide

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

C561-1180

Molecular Formula

C27H30N4O2S (C27 H30 N4 O2 S)

Compound Name

3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide

IUPAC name

3-[2-(2-methoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide

SMILES

Cc1c(CCC(NCCc(cc2)ccc2SC)=O)c(C)nc2cc(-c(cccc3)c3OC)nn12

InChI

InChI=1S/C27H30N4O2S/c1-18-22(13-14-27(32)28-16-15-20-9-11-21(34-4)12-10-20)19(2)31-26(29-18)17-24(30-31)23-7-5-6-8-25(23)33-3/h5-12,17H,13-16H2,1-4H3,(H,28,32)

InChI Key

UFVHDJDVGDBIPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.138

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.44

Polar Surface Area

51.393

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C561-1180 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C561-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1180?
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What is the minimum amount of C561-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1180
  • 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 C561-1180 available by request