C301-9568 Screening compound: 2-(4-methylphenyl)-8-(1-pyrrolidinyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine

C301-9568 Screening compound: 2-(4-methylphenyl)-8-(1-pyrrolidinyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine
C301-9568 Screening compound: 2-(4-methylphenyl)-8-(1-pyrrolidinyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9568
2-(4-methylphenyl)-8-(1-pyrrolidinyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]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

C301-9568

Molecular Formula

C19H21N5 (C19 H21 N5)

Compound Name

2-(4-methylphenyl)-8-(1-pyrrolidinyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

11-(4-methylphenyl)-2-(pyrrolidin-1-yl)-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraene

SMILES

Cc(cc1)ccc1-c1nn2c(N3CCCC3)c(CCC3)c3nc2n1

InChI

InChI=1S/C19H21N5/c1-13-7-9-14(10-8-13)17-21-19-20-16-6-4-5-15(16)18(24(19)22-17)23-11-2-3-12-23/h7-10H,2-6,11-12H2,1H3

InChI Key

VNYPSJRYMDZDIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.13

Polar Surface Area

39.150

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C301-9568 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-9568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9568?
Check Price and Availability of C301-9568, 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 C301-9568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9568
  • 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 C301-9568 available by request