8018-8289 Screening compound: 2-(4-chlorophenyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine

8018-8289 Screening compound: 2-(4-chlorophenyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine
8018-8289 Screening compound: 2-(4-chlorophenyl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8289
2-(4-chlorophenyl)-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

8018-8289

Molecular Formula

C14H11ClN4 (C14 H11 ClN4)

Compound Name

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

IUPAC name

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

SMILES

Clc(cc1)ccc1-c1nn(cnc2c3CCC2)c3n1

InChI

InChI=1S/C14H11ClN4/c15-10-6-4-9(5-7-10)13-17-14-11-2-1-3-12(11)16-8-19(14)18-13/h4-8H,1-3H2

InChI Key

MTBALGZAALSTDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.867

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.53

Polar Surface Area

34.090

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8018-8289 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8018-8289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8289?
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What is the minimum amount of 8018-8289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8289
  • 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 8018-8289 available by request