C561-2589 Screening compound: methyl 4-(3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

C561-2589 Screening compound: methyl 4-(3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate
C561-2589 Screening compound: methyl 4-(3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2589
methyl 4-(3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

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

C561-2589

Molecular Formula

C17H17N5O4 (C17 H17 N5 O4)

Compound Name

methyl 4-(3-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

IUPAC name

methyl 4-(3-{7-hydroxy-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamido)benzoate

SMILES

Cc1nc2ncnn2c(O)c1CCC(Nc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C17H17N5O4/c1-10-13(15(24)22-17(20-10)18-9-19-22)7-8-14(23)21-12-5-3-11(4-6-12)16(25)26-2/h3-6,9,24H,7-8H2,1-2H3,(H,21,23)

InChI Key

SFERFTNIFSZEEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.993

Distribution Coefficient, logD

-0.509

Water Solubility, LogSw

-1.98

Polar Surface Area

91.800

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C561-2589 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-2589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2589?
Check Price and Availability of C561-2589, 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 C561-2589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2589
  • 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 C561-2589 available by request