6237-0593 Screening compound: 1-(4-tert-butylbenzoyl)-3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

6237-0593 Screening compound: 1-(4-tert-butylbenzoyl)-3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
6237-0593 Screening compound: 1-(4-tert-butylbenzoyl)-3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6237-0593
1-(4-tert-butylbenzoyl)-3-ethyl-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

6237-0593

Molecular Formula

C17H21F3N2O2 (C17 H21 F3 N2 O2)

Compound Name

1-(4-tert-butylbenzoyl)-3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(4-tert-butylbenzoyl)-3-ethyl-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CCC(CC1(C(F)(F)F)O)=NN1C(c1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C17H21F3N2O2/c1-5-13-10-16(24,17(18,19)20)22(21-13)14(23)11-6-8-12(9-7-11)15(2,3)4/h6-9,24H,5,10H2,1-4H3/t16-/m0/s1

InChI Key

UVORAGMJHYHTNP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02911545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.20

Polar Surface Area

43.693

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

6237-0593 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6237-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6237-0593?
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What is the minimum amount of 6237-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6237-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6237-0593
  • 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 6237-0593 available by request