E016-1677 Screening compound: 2-[2-(4-methoxyphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

E016-1677 Screening compound: 2-[2-(4-methoxyphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
E016-1677 Screening compound: 2-[2-(4-methoxyphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-1677
2-[2-(4-methoxyphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]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

E016-1677

Molecular Formula

C22H29N7O3 (C22 H29 N7 O3)

Compound Name

2-[2-(4-methoxyphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

IUPAC name

2-[2-(4-methoxyphenyl)-7-methyl-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

SMILES

CC(n(c1c2)nc2-c(cc2)ccc2OC)=NN(CC(NCCN2CCN(C)CC2)=O)C1=O

InChI

InChI=1S/C22H29N7O3/c1-16-24-28(15-21(30)23-8-9-27-12-10-26(2)11-13-27)22(31)20-14-19(25-29(16)20)17-4-6-18(32-3)7-5-17/h4-7,14H,8-13,15H2,1-3H3,(H,23,30)

InChI Key

ZWBVZHPUKRPGBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.659

Distribution Coefficient, logD

-0.009

Water Solubility, LogSw

-2.05

Polar Surface Area

80.082

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E016-1677 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E016-1677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-1677?
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What is the minimum amount of E016-1677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-1677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-1677
  • 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 E016-1677 available by request