C561-0644 Screening compound: ethyl 3-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-(4-methylphenyl)propanoate

C561-0644 Screening compound: ethyl 3-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-(4-methylphenyl)propanoate
C561-0644 Screening compound: ethyl 3-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-(4-methylphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0644
ethyl 3-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-(4-methylphenyl)propanoate

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

C561-0644

Molecular Formula

C29H32N4O3 (C29 H32 N4 O3)

Compound Name

ethyl 3-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-(4-methylphenyl)propanoate

IUPAC name

ethyl 3-(3-{57-dimethyl-2-phenylpyrazolo[15-a]pyrimidin-6-yl}propanamido)-3-(4-methylphenyl)propanoate

SMILES

CCOC(CC(c1ccc(C)cc1)NC(CCc(c(C)nc1c2)c(C)n1nc2-c1ccccc1)=O)=O

InChI

InChI=1S/C29H32N4O3/c1-5-36-29(35)18-25(23-13-11-19(2)12-14-23)31-28(34)16-15-24-20(3)30-27-17-26(32-33(27)21(24)4)22-9-7-6-8-10-22/h6-14,17,25H,5,15-16,18H2,1-4H3,(H,31,34)/t25-/m0/s1

InChI Key

HXDGJFPHEHTKLP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14770295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.072

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-4.69

Polar Surface Area

63.710

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

C561-0644 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with C561-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0644?
Check Price and Availability of C561-0644, 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 C561-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0644
  • 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 C561-0644 available by request