8013-3231 Screening compound: 7-benzyl-3-(4-pyridyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine

8013-3231 Screening compound: 7-benzyl-3-(4-pyridyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
8013-3231 Screening compound: 7-benzyl-3-(4-pyridyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3231
7-benzyl-3-(4-pyridyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine

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

8013-3231

Molecular Formula

C18H13N7 (C18 H13 N7)

Compound Name

7-benzyl-3-(4-pyridyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine

IUPAC name

10-benzyl-5-(pyridin-4-yl)-34681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

C(c1ccccc1)n1ncc2c1ncn1c(-c3ccncc3)nnc12

InChI

InChI=1S/C18H13N7/c1-2-4-13(5-3-1)11-25-17-15(10-21-25)18-23-22-16(24(18)12-20-17)14-6-8-19-9-7-14/h1-10,12H,11H2

InChI Key

JQGMGAWIZLDXIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03298044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-1.33

Polar Surface Area

54.202

Acid Dissociation Constant (pKa)

24.38

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8013-3231 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-3231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3231?
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What is the minimum amount of 8013-3231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3231
  • 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 8013-3231 available by request