C561-1722 Screening compound: ethyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-phenylpropanoate

C561-1722 Screening compound: ethyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-phenylpropanoate
C561-1722 Screening compound: ethyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1722
ethyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-phenylpropanoate

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

C561-1722

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

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

IUPAC name

ethyl 2-(3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamido)-3-phenylpropanoate

SMILES

CCOC(C(Cc1ccccc1)NC(CCc1c(C)n2ncnc2nc1C)=O)=O

InChI

InChI=1S/C21H25N5O3/c1-4-29-20(28)18(12-16-8-6-5-7-9-16)25-19(27)11-10-17-14(2)24-21-22-13-23-26(21)15(17)3/h5-9,13,18H,4,10-12H2,1-3H3,(H,25,27)/t18-/m0/s1

InChI Key

BREWVGFUMPDRJF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14771105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-2.11

Polar Surface Area

76.901

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C561-1722 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Integrin Receptors Targeted library (1715 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C561-1722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1722?
Check Price and Availability of C561-1722, 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 C561-1722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1722
  • 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 C561-1722 available by request