8012-5934 Screening compound: 3,6,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one

8012-5934 Screening compound: 3,6,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one
8012-5934 Screening compound: 3,6,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5934
3,6,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one

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

8012-5934

Molecular Formula

C17H17F3N2O2 (C17 H17 F3 N2 O2)

Compound Name

3,6,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one

IUPAC name

366-trimethyl-1-[4-(trifluoromethoxy)phenyl]-4567-tetrahydro-1H-indazol-4-one

SMILES

CC(C)(Cc1c2c(C)nn1-c(cc1)ccc1OC(F)(F)F)CC2=O

InChI

InChI=1S/C17H17F3N2O2/c1-10-15-13(8-16(2,3)9-14(15)23)22(21-10)11-4-6-12(7-5-11)24-17(18,19)20/h4-7H,8-9H2,1-3H3

InChI Key

FOUAOBAEUKHQNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-4.45

Polar Surface Area

33.746

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8012-5934 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-5934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5934?
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What is the minimum amount of 8012-5934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5934
  • 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 8012-5934 available by request