3852-0196 Screening compound: 2-(4-chlorobenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

3852-0196 Screening compound: 2-(4-chlorobenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol
3852-0196 Screening compound: 2-(4-chlorobenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0196
2-(4-chlorobenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

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

3852-0196

Molecular Formula

C15H14ClF3N2O2 (C15 H14 ClF3 N2 O2)

Compound Name

2-(4-chlorobenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

IUPAC name

2-(4-chlorobenzoyl)-3-(trifluoromethyl)-33a4567-hexahydro-2H-indazol-3-ol

SMILES

OC1(C(F)(F)F)N(C(c(cc2)ccc2Cl)=O)N=C2C1CCCC2

InChI

InChI=1S/C15H14ClF3N2O2/c16-10-7-5-9(6-8-10)13(22)21-14(23,15(17,18)19)11-3-1-2-4-12(11)20-21/h5-8,11,23H,1-4H2

InChI Key

QISJWZAKSAAHGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00781920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.30

Polar Surface Area

42.921

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

3852-0196 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3852-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0196?
Check Price and Availability of 3852-0196, 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 3852-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0196
  • 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 3852-0196 available by request