8012-5232 Screening compound: 5,5-dimethyl-3-(1,1,2,2-tetrafluoroethyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline

8012-5232 Screening compound: 5,5-dimethyl-3-(1,1,2,2-tetrafluoroethyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
8012-5232 Screening compound: 5,5-dimethyl-3-(1,1,2,2-tetrafluoroethyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5232
5,5-dimethyl-3-(1,1,2,2-tetrafluoroethyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline

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

8012-5232

Molecular Formula

C14H13F4N3 (C14 H13 F4 N3)

Compound Name

5,5-dimethyl-3-(1,1,2,2-tetrafluoroethyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline

IUPAC name

55-dimethyl-3-(1122-tetrafluoroethyl)-5H6H-[124]triazolo[34-a]isoquinoline

SMILES

CC(C)(Cc1c-2cccc1)n1c2nnc1C(C(F)F)(F)F

InChI

InChI=1S/C14H13F4N3/c1-13(2)7-8-5-3-4-6-9(8)10-19-20-12(21(10)13)14(17,18)11(15)16/h3-6,11H,7H2,1-2H3

InChI Key

MGIGYBJXDTYVGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02130623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.31

Polar Surface Area

24.372

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8012-5232 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-5232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5232?
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What is the minimum amount of 8012-5232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5232
  • 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 8012-5232 available by request