8020-3455 Screening compound: 9-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one

8020-3455 Screening compound: 9-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
8020-3455 Screening compound: 9-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3455
9-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one

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

8020-3455

Molecular Formula

C16H9ClN8O (C16 H9 ClN8 O)

Compound Name

9-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one

IUPAC name

8-(4-chlorophenyl)-11-(1H-124-triazol-5-yl)-246711-pentaazatricyclo[7.4.0.0^{37}]trideca-135812-pentaen-10-one

SMILES

O=C(c1c(-c(cc2)ccc2Cl)n2ncnc2nc1C=C1)N1c1ncn[nH]1

InChI

InChI=1S/C16H9ClN8O/c17-10-3-1-9(2-4-10)13-12-11(22-15-19-8-21-25(13)15)5-6-24(14(12)26)16-18-7-20-23-16/h1-8H,(H,18,20,23)

InChI Key

DMLSDXRMRNZIJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12212578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.565

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-2.57

Polar Surface Area

85.264

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-3455 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-3455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3455?
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What is the minimum amount of 8020-3455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3455
  • 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 8020-3455 available by request