C561-2506 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-2506 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-2506 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2506
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{7-hydroxy-5-methyl-[1,2,4]triazolo[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

C561-2506

Molecular Formula

C17H17N5O4 (C17 H17 N5 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-{7-hydroxy-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

Cc1nc2ncnn2c(O)c1CCC(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H17N5O4/c1-10-12(16(24)22-17(21-10)19-8-20-22)3-5-15(23)18-7-11-2-4-13-14(6-11)26-9-25-13/h2,4,6,8,24H,3,5,7,9H2,1H3,(H,18,23)

InChI Key

PECGEKKGNVDOJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.515

Distribution Coefficient, logD

-0.986

Water Solubility, LogSw

-1.93

Polar Surface Area

89.064

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C561-2506 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-2506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2506?
Check Price and Availability of C561-2506, 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 C561-2506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2506
  • 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 C561-2506 available by request