E016-2617 Screening compound: 5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-(4-ethylphenyl)-7-methyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

E016-2617 Screening compound: 5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-(4-ethylphenyl)-7-methyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
E016-2617 Screening compound: 5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-(4-ethylphenyl)-7-methyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-2617
5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-(4-ethylphenyl)-7-methyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

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

E016-2617

Molecular Formula

C23H27N5O4 (C23 H27 N5 O4)

Compound Name

5-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-(4-ethylphenyl)-7-methyl-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

5-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-(4-ethylphenyl)-7-methyl-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

CCc(cc1)ccc1-c(cc12)nn1C(C)=NN(CC(N(CC1)CCC11OCCO1)=O)C2=O

InChI

InChI=1S/C23H27N5O4/c1-3-17-4-6-18(7-5-17)19-14-20-22(30)27(24-16(2)28(20)25-19)15-21(29)26-10-8-23(9-11-26)31-12-13-32-23/h4-7,14H,3,8-13,15H2,1-2H3

InChI Key

OLYGLVUHTLSEML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.215

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-2.55

Polar Surface Area

71.595

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E016-2617 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E016-2617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-2617?
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What is the minimum amount of E016-2617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-2617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-2617
  • 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 E016-2617 available by request