C561-1754 Screening compound: N-(2,2-diethoxyethyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-1754 Screening compound: N-(2,2-diethoxyethyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-1754 Screening compound: N-(2,2-diethoxyethyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1754
N-(2,2-diethoxyethyl)-3-{5,7-dimethyl-[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

C561-1754

Molecular Formula

C16H25N5O3 (C16 H25 N5 O3)

Compound Name

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

IUPAC name

N-(22-diethoxyethyl)-3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

CCOC(CNC(CCc1c(C)n2ncnc2nc1C)=O)OCC

InChI

InChI=1S/C16H25N5O3/c1-5-23-15(24-6-2)9-17-14(22)8-7-13-11(3)20-16-18-10-19-21(16)12(13)4/h10,15H,5-9H2,1-4H3,(H,17,22)

InChI Key

BDRJESPWQCDOGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.173

Distribution Coefficient, logD

0.173

Water Solubility, LogSw

-1.38

Polar Surface Area

71.442

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

C561-1754 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C561-1754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1754?
Check Price and Availability of C561-1754, 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 C561-1754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1754
  • 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 C561-1754 available by request