C561-2594 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-2594 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-2594 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-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 C561-2594
N-[2-(3,4-diethoxyphenyl)ethyl]-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

C561-2594

Molecular Formula

C21H27N5O4 (C21 H27 N5 O4)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-{7-hydroxy-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

CCOc(ccc(CCNC(CCc(c(C)nc1ncnn11)c1O)=O)c1)c1OCC

InChI

InChI=1S/C21H27N5O4/c1-4-29-17-8-6-15(12-18(17)30-5-2)10-11-22-19(27)9-7-16-14(3)25-21-23-13-24-26(21)20(16)28/h6,8,12-13,28H,4-5,7,9-11H2,1-3H3,(H,22,27)

InChI Key

VXVAOJWARPEDOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.385

Distribution Coefficient, logD

-1.116

Water Solubility, LogSw

-1.99

Polar Surface Area

86.211

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C561-2594 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2594?
Check Price and Availability of C561-2594, 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 C561-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2594
  • 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 C561-2594 available by request