8017-8615 Screening compound: ethyl 7-(4-methoxyphenyl)-2,2,9-trimethyl-4-oxo-1,2,3,4-tetrahydropyrido[2',3':3,4]pyrazolo[5,1-c][1,2,4]benzotriazine-8-carboxylate

8017-8615 Screening compound: ethyl 7-(4-methoxyphenyl)-2,2,9-trimethyl-4-oxo-1,2,3,4-tetrahydropyrido[2',3':3,4]pyrazolo[5,1-c][1,2,4]benzotriazine-8-carboxylate
8017-8615 Screening compound: ethyl 7-(4-methoxyphenyl)-2,2,9-trimethyl-4-oxo-1,2,3,4-tetrahydropyrido[2',3':3,4]pyrazolo[5,1-c][1,2,4]benzotriazine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8615
ethyl 7-(4-methoxyphenyl)-2,2,9-trimethyl-4-oxo-1,2,3,4-tetrahydropyrido[2',3':3,4]pyrazolo[5,1-c][1,2,4]benzotriazine-8-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

8017-8615

Molecular Formula

C25H25N5O4 (C25 H25 N5 O4)

Compound Name

ethyl 7-(4-methoxyphenyl)-2,2,9-trimethyl-4-oxo-1,2,3,4-tetrahydropyrido[2',3':3,4]pyrazolo[5,1-c][1,2,4]benzotriazine-8-carboxylate

IUPAC name

ethyl 12-(4-methoxyphenyl)-4414-trimethyl-6-oxo-1891517-pentaazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)810121416-hexaene-13-carboxylate

SMILES

CCOC(c(c(C)nc1nn2c(CC(C)(C)CC3=O)c3nnc2c11)c1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C25H25N5O4/c1-6-34-24(32)18-13(2)26-22-20(19(18)14-7-9-15(33-5)10-8-14)23-28-27-21-16(30(23)29-22)11-25(3,4)12-17(21)31/h7-10H,6,11-12H2,1-5H3

InChI Key

YZZMDUKGOZUBLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-5.05

Polar Surface Area

87.430

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

8017-8615 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-8615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8615?
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What is the minimum amount of 8017-8615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8615
  • 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 8017-8615 available by request