C561-1948 Screening compound: ethyl 3-[4-(propan-2-yloxy)phenyl]-3-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)propanoate

C561-1948 Screening compound: ethyl 3-[4-(propan-2-yloxy)phenyl]-3-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)propanoate
C561-1948 Screening compound: ethyl 3-[4-(propan-2-yloxy)phenyl]-3-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1948
ethyl 3-[4-(propan-2-yloxy)phenyl]-3-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)propanoate

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

C561-1948

Molecular Formula

C25H33N5O4 (C25 H33 N5 O4)

Compound Name

ethyl 3-[4-(propan-2-yloxy)phenyl]-3-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)propanoate

IUPAC name

ethyl 3-[4-(propan-2-yloxy)phenyl]-3-(3-{257-trimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamido)propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC(C)C)NC(CCc1c(C)n2nc(C)nc2nc1C)=O)=O

InChI

InChI=1S/C25H33N5O4/c1-7-33-24(32)14-22(19-8-10-20(11-9-19)34-15(2)3)28-23(31)13-12-21-16(4)26-25-27-18(6)29-30(25)17(21)5/h8-11,15,22H,7,12-14H2,1-6H3,(H,28,31)/t22-/m0/s1

InChI Key

RZCFCHXZAITMBD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14771248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.28

Polar Surface Area

81.780

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

C561-1948 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C561-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1948?
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What is the minimum amount of C561-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1948
  • 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 C561-1948 available by request