4607-0182 Screening compound: 2-(4-methoxybenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

4607-0182 Screening compound: 2-(4-methoxybenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol
4607-0182 Screening compound: 2-(4-methoxybenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-0182
2-(4-methoxybenzoyl)-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

4607-0182

Molecular Formula

C16H17F3N2O3 (C16 H17 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(N1N=C(CCCC2)C2C1(C(F)(F)F)O)=O

InChI

InChI=1S/C16H17F3N2O3/c1-24-11-8-6-10(7-9-11)14(22)21-15(23,16(17,18)19)12-4-2-3-5-13(12)20-21/h6-9,12,23H,2-5H2,1H3

InChI Key

RIFQOTPGDNQCTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01827526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.24

Polar Surface Area

50.465

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

4607-0182 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4607-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-0182?
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What is the minimum amount of 4607-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-0182
  • 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 4607-0182 available by request