4607-1328 Screening compound: 3-cyclohexyl-1-(2-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1328 Screening compound: 3-cyclohexyl-1-(2-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1328 Screening compound: 3-cyclohexyl-1-(2-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1328
3-cyclohexyl-1-(2-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-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

4607-1328

Molecular Formula

C17H19F3N2O3 (C17 H19 F3 N2 O3)

Compound Name

3-cyclohexyl-1-(2-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-cyclohexyl-1-(2-hydroxybenzoyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)N(C(c(cccc2)c2O)=O)N=C1C1CCCCC1

InChI

InChI=1S/C17H19F3N2O3/c18-17(19,20)16(25)10-13(11-6-2-1-3-7-11)21-22(16)15(24)12-8-4-5-9-14(12)23/h4-5,8-9,11,23,25H,1-3,6-7,10H2

InChI Key

JRPDNEXLVNMBAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02912111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-3.74

Polar Surface Area

60.258

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 4607-1328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1328?
Check Price and Availability of 4607-1328, 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 4607-1328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1328
  • 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 4607-1328 available by request