E016-0635 Screening compound: ethyl 4-{2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamido}piperidine-1-carboxylate

E016-0635 Screening compound: ethyl 4-{2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamido}piperidine-1-carboxylate
E016-0635 Screening compound: ethyl 4-{2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0635
ethyl 4-{2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamido}piperidine-1-carboxylate

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

E016-0635

Molecular Formula

C19H22N6O5 (C19 H22 N6 O5)

Compound Name

ethyl 4-{2-[2-(furan-2-yl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{2-[2-(furan-2-yl)-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetamido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CN(C(c1c2)=O)N=Cn1nc2-c1ccco1)=O)=O

InChI

InChI=1S/C19H22N6O5/c1-2-29-19(28)23-7-5-13(6-8-23)21-17(26)11-24-18(27)15-10-14(16-4-3-9-30-16)22-25(15)12-20-24/h3-4,9-10,12-13H,2,5-8,11H2,1H3,(H,21,26)

InChI Key

AADYDWADEWLJTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.290

Distribution Coefficient, logD

0.290

Water Solubility, LogSw

-1.93

Polar Surface Area

97.701

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E016-0635 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E016-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0635?
Check Price and Availability of E016-0635, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E016-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0635
  • 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 E016-0635 available by request