8017-5313 Screening compound: 6-(2,5-dimethoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

8017-5313 Screening compound: 6-(2,5-dimethoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
8017-5313 Screening compound: 6-(2,5-dimethoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5313
6-(2,5-dimethoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

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

8017-5313

Molecular Formula

C17H17N5O4 (C17 H17 N5 O4)

Compound Name

6-(2,5-dimethoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

IUPAC name

10-(25-dimethoxyphenyl)-7-methyl-235713-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35-triene-812-dione

SMILES

CN(c1ncnn1C(NC(C1)=O)=C2C1c(cc(cc1)OC)c1OC)C2=O

InChI

InChI=1S/C17H17N5O4/c1-21-16(24)14-11(10-6-9(25-2)4-5-12(10)26-3)7-13(23)20-15(14)22-17(21)18-8-19-22/h4-6,8,11H,7H2,1-3H3,(H,20,23)/t11-/m0/s1

InChI Key

FLUAYHGZCQGLTK-NSHDSACASA-N

MDL Number (MFCD)

MFCD06017670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.813

Distribution Coefficient, logD

0.812

Water Solubility, LogSw

-2.07

Polar Surface Area

78.942

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

8017-5313 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-5313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5313?
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What is the minimum amount of 8017-5313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5313
  • 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 8017-5313 available by request