C561-1578 Screening compound: 3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methylphenyl)propanamide

C561-1578 Screening compound: 3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methylphenyl)propanamide
C561-1578 Screening compound: 3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1578
3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methylphenyl)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

C561-1578

Molecular Formula

C17H19N5O (C17 H19 N5 O)

Compound Name

3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(4-methylphenyl)propanamide

IUPAC name

3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}-N-(4-methylphenyl)propanamide

SMILES

Cc(cc1)ccc1NC(CCc1c(C)n2ncnc2nc1C)=O

InChI

InChI=1S/C17H19N5O/c1-11-4-6-14(7-5-11)21-16(23)9-8-15-12(2)20-17-18-10-19-22(17)13(15)3/h4-7,10H,8-9H2,1-3H3,(H,21,23)

InChI Key

YZRVDCRQYGHZDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.78

Polar Surface Area

55.195

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C561-1578 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with C561-1578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1578?
Check Price and Availability of C561-1578, 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 C561-1578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1578
  • 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 C561-1578 available by request