E016-2800 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

E016-2800 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
E016-2800 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-2800
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]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

E016-2800

Molecular Formula

C26H36N6O2 (C26 H36 N6 O2)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetamide

SMILES

CCc(cc1)ccc1-c(cc12)nn1C(C)=NN(CC(NCCCN1CC(C)CC(C)C1)=O)C2=O

InChI

InChI=1S/C26H36N6O2/c1-5-21-7-9-22(10-8-21)23-14-24-26(34)31(28-20(4)32(24)29-23)17-25(33)27-11-6-12-30-15-18(2)13-19(3)16-30/h7-10,14,18-19H,5-6,11-13,15-17H2,1-4H3,(H,27,33)

InChI Key

BZVHERJNJXGFHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

1.158

Water Solubility, LogSw

-3.79

Polar Surface Area

68.929

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with E016-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-2800?
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What is the minimum amount of E016-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-2800
  • 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 E016-2800 available by request