8017-5035 Screening compound: 6-(3-methoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

8017-5035 Screening compound: 6-(3-methoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
8017-5035 Screening compound: 6-(3-methoxyphenyl)-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 8017-5035
6-(3-methoxyphenyl)-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

8017-5035

Molecular Formula

C16H15N5O3 (C16 H15 N5 O3)

Compound Name

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

IUPAC name

10-(3-methoxyphenyl)-7-methyl-235713-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35-triene-812-dione

SMILES

CN(c1ncnn1C(NC(C1)=O)=C2C1c1cc(OC)ccc1)C2=O

InChI

InChI=1S/C16H15N5O3/c1-20-15(23)13-11(9-4-3-5-10(6-9)24-2)7-12(22)19-14(13)21-16(20)17-8-18-21/h3-6,8,11H,7H2,1-2H3,(H,19,22)/t11-/m0/s1

InChI Key

XARDURMJBIXMHA-NSHDSACASA-N

MDL Number (MFCD)

MFCD06017397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.617

Distribution Coefficient, logD

0.616

Water Solubility, LogSw

-1.99

Polar Surface Area

71.311

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8017-5035 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-5035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5035?
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What is the minimum amount of 8017-5035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5035
  • 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 8017-5035 available by request