8018-8286 Screening compound: 2-(3-pyridyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine

8018-8286 Screening compound: 2-(3-pyridyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine
8018-8286 Screening compound: 2-(3-pyridyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8286
2-(3-pyridyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-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

8018-8286

Molecular Formula

C13H11N5 (C13 H11 N5)

Compound Name

2-(3-pyridyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-(pyridin-3-yl)-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)247-tetraene

SMILES

C(C1)Cc2c1c1nc(-c3cnccc3)nn1cn2

InChI

InChI=1S/C13H11N5/c1-4-10-11(5-1)15-8-18-13(10)16-12(17-18)9-3-2-6-14-7-9/h2-3,6-8H,1,4-5H2

InChI Key

WIFJZGJTLBQUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.792

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-0.24

Polar Surface Area

43.608

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8018-8286 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8286?
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What is the minimum amount of 8018-8286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8286
  • 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 8018-8286 available by request