3454-2752 Screening compound: 3,4,4-TRIMETHYL-1-(4-METHYL-2-QUINOLYL)-3B,4,4A,5-TETRAHYDRO-1H-CYCLOPROPA[3,4]CYCLOPENTA[1,2-C]PYRAZOLE

3454-2752 Screening compound: 3,4,4-TRIMETHYL-1-(4-METHYL-2-QUINOLYL)-3B,4,4A,5-TETRAHYDRO-1H-CYCLOPROPA[3,4]CYCLOPENTA[1,2-C]PYRAZOLE
3454-2752 Screening compound: 3,4,4-TRIMETHYL-1-(4-METHYL-2-QUINOLYL)-3B,4,4A,5-TETRAHYDRO-1H-CYCLOPROPA[3,4]CYCLOPENTA[1,2-C]PYRAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-2752
3,4,4-TRIMETHYL-1-(4-METHYL-2-QUINOLYL)-3B,4,4A,5-TETRAHYDRO-1H-CYCLOPROPA[3,4]CYCLOPENTA[1,2-C]PYRAZOLE

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

3454-2752

Molecular Formula

C20H21N3 (C20 H21 N3)

Compound Name

3,4,4-TRIMETHYL-1-(4-METHYL-2-QUINOLYL)-3B,4,4A,5-TETRAHYDRO-1H-CYCLOPROPA[3,4]CYCLOPENTA[1,2-C]PYRAZOLE

IUPAC name

n/a

SMILES

CC(C)(C1C2)C1c1c2n(-c2nc3ccccc3c(C)c2)nc1C

InChI

InChI=1S/C20H21N3/c1-11-9-17(21-15-8-6-5-7-13(11)15)23-16-10-14-19(20(14,3)4)18(16)12(2)22-23/h5-9,14,19H,10H2,1-4H3

InChI Key

HRJHJSVXCGLCEV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.796

Water Solubility, LogSw

-4.84

Polar Surface Area

22.974

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

3454-2752 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3454-2752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-2752?
Check Price and Availability of 3454-2752, 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 3454-2752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-2752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-2752
  • 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 3454-2752 available by request