C561-1451 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C561-1451 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
C561-1451 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1451
N-[2-(4-chlorophenyl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]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

C561-1451

Molecular Formula

C27H29ClN4O3 (C27 H29 ClN4 O3)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-[2-(24-dimethoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]propanamide

SMILES

Cc1c(CCC(NCCc(cc2)ccc2Cl)=O)c(C)nc2cc(-c(ccc(OC)c3)c3OC)nn12

InChI

InChI=1S/C27H29ClN4O3/c1-17-22(11-12-27(33)29-14-13-19-5-7-20(28)8-6-19)18(2)32-26(30-17)16-24(31-32)23-10-9-21(34-3)15-25(23)35-4/h5-10,15-16H,11-14H2,1-4H3,(H,29,33)

InChI Key

UDGFZZQEKKDVOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.64

Polar Surface Area

58.937

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C561-1451 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Immunological Library (6760 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C561-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1451?
Check Price and Availability of C561-1451, 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 C561-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1451
  • 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 C561-1451 available by request