C561-0552 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

C561-0552 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
C561-0552 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0552
3-[2-(3,5-dimethoxyphenyl)-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

C561-0552

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

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

IUPAC name

3-[2-(35-dimethoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

SMILES

Cc1cccc(CCNC(CCc(c(C)nc2c3)c(C)n2nc3-c2cc(OC)cc(OC)c2)=O)c1

InChI

InChI=1S/C28H32N4O3/c1-18-7-6-8-21(13-18)11-12-29-28(33)10-9-25-19(2)30-27-17-26(31-32(27)20(25)3)22-14-23(34-4)16-24(15-22)35-5/h6-8,13-17H,9-12H2,1-5H3,(H,29,33)

InChI Key

MWVHVLIKHCHTDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

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

4.398

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.40

Polar Surface Area

58.850

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C561-0552 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

MCL1 Targeted Library (12200 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:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C561-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0552?
Check Price and Availability of C561-0552, 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 C561-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0552
  • 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 C561-0552 available by request