5859-0113 Screening compound: 2-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

5859-0113 Screening compound: 2-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
5859-0113 Screening compound: 2-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5859-0113
2-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

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

5859-0113

Molecular Formula

C19H24F3N3O4 (C19 H24 F3 N3 O4)

Compound Name

2-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

IUPAC name

2-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

SMILES

CCCCCCC(CC1(C(F)(F)F)O)=NN1C(C(Nc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C19H24F3N3O4/c1-3-4-5-6-7-14-12-18(28,19(20,21)22)25(24-14)17(27)16(26)23-13-8-10-15(29-2)11-9-13/h8-11,28H,3-7,12H2,1-2H3,(H,23,26)/t18-/m0/s1

InChI Key

BYGSEVRFBGIZEL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14710870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-3.99

Polar Surface Area

74.600

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with 5859-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5859-0113?
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What is the minimum amount of 5859-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5859-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5859-0113
  • 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 5859-0113 available by request