8017-5281 Screening compound: 4-methyl-6-(3-nitrophenyl)-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

8017-5281 Screening compound: 4-methyl-6-(3-nitrophenyl)-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
8017-5281 Screening compound: 4-methyl-6-(3-nitrophenyl)-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 8017-5281
4-methyl-6-(3-nitrophenyl)-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

8017-5281

Molecular Formula

C15H12N6O4 (C15 H12 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c1ncnn1C(NC(C1)=O)=C2C1c1cccc([N+]([O-])=O)c1)C2=O

InChI

InChI=1S/C15H12N6O4/c1-19-14(23)12-10(8-3-2-4-9(5-8)21(24)25)6-11(22)18-13(12)20-15(19)16-7-17-20/h2-5,7,10H,6H2,1H3,(H,18,22)/t10-/m0/s1

InChI Key

WCHWPZIXLVENBZ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06017638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.469

Distribution Coefficient, logD

0.469

Water Solubility, LogSw

-2.23

Polar Surface Area

97.149

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8017-5281 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-5281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5281?
Check Price and Availability of 8017-5281, 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 8017-5281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5281
  • 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 8017-5281 available by request