C561-1249 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-1249 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-1249 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1249
N-[2-(3,4-diethoxyphenyl)ethyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[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

C561-1249

Molecular Formula

C30H36N4O3 (C30 H36 N4 O3)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-{257-trimethyl-3-phenylpyrazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

CCOc(ccc(CCNC(CCc1c(C)n2nc(C)c(-c3ccccc3)c2nc1C)=O)c1)c1OCC

InChI

InChI=1S/C30H36N4O3/c1-6-36-26-15-13-23(19-27(26)37-7-2)17-18-31-28(35)16-14-25-20(3)32-30-29(24-11-9-8-10-12-24)21(4)33-34(30)22(25)5/h8-13,15,19H,6-7,14,16-18H2,1-5H3,(H,31,35)

InChI Key

GZYDACOVUYJWDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-3.96

Polar Surface Area

59.306

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

C561-1249 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C561-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1249?
Check Price and Availability of C561-1249, 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 C561-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1249
  • 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 C561-1249 available by request