C561-0843 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethoxyphenyl)propanamide

C561-0843 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethoxyphenyl)propanamide
C561-0843 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0843
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethoxyphenyl)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

C561-0843

Molecular Formula

C25H25ClN4O2 (C25 H25 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CCc(c(C)nc1c2)c(C)n1nc2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H25ClN4O2/c1-4-32-21-11-9-20(10-12-21)28-25(31)14-13-22-16(2)27-24-15-23(29-30(24)17(22)3)18-5-7-19(26)8-6-18/h5-12,15H,4,13-14H2,1-3H3,(H,28,31)

InChI Key

UYIOENBITLOYJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.353

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.93

Polar Surface Area

49.722

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C561-0843 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0843?
Check Price and Availability of C561-0843, 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 C561-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0843
  • 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 C561-0843 available by request