C561-1120 Screening compound: 3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

C561-1120 Screening compound: 3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
C561-1120 Screening compound: 3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1120
3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)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

C561-1120

Molecular Formula

C27H30N4O2 (C27 H30 N4 O2)

Compound Name

3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

IUPAC name

3-[2-(2-methoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

SMILES

Cc1cccc(CCNC(CCc(c(C)nc2c3)c(C)n2nc3-c(cccc2)c2OC)=O)c1

InChI

InChI=1S/C27H30N4O2/c1-18-8-7-9-21(16-18)14-15-28-27(32)13-12-22-19(2)29-26-17-24(30-31(26)20(22)3)23-10-5-6-11-25(23)33-4/h5-11,16-17H,12-15H2,1-4H3,(H,28,32)

InChI Key

KBMRFEAZUVRAJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.37

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

C561-1120 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C561-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1120?
Check Price and Availability of C561-1120, 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 C561-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1120
  • 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 C561-1120 available by request