E016-0689 Screening compound: 2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide

E016-0689 Screening compound: 2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide
E016-0689 Screening compound: 2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0689
2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide

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

E016-0689

Molecular Formula

C19H17N5O4 (C19 H17 N5 O4)

Compound Name

2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-[2-(furan-2-yl)-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COc1ccc(CNC(CN(C(c2c3)=O)N=Cn2nc3-c2ccco2)=O)cc1

InChI

InChI=1S/C19H17N5O4/c1-27-14-6-4-13(5-7-14)10-20-18(25)11-23-19(26)16-9-15(17-3-2-8-28-17)22-24(16)12-21-23/h2-9,12H,10-11H2,1H3,(H,20,25)

InChI Key

VUAGPQWDQGZNJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.998

Distribution Coefficient, logD

0.998

Water Solubility, LogSw

-2.22

Polar Surface Area

82.739

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E016-0689 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E016-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0689?
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What is the minimum amount of E016-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0689
  • 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 E016-0689 available by request