8006-8292 Screening compound: 5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

8006-8292 Screening compound: 5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
8006-8292 Screening compound: 5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8292
5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

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

8006-8292

Molecular Formula

C11H8ClF3N2O2 (C11 H8 ClF3 N2 O2)

Compound Name

5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

IUPAC name

5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-45-dihydro-1H-pyrazole-1-carbaldehyde

SMILES

OC(C1)(c(cc2)ccc2Cl)N(C=O)N=C1C(F)(F)F

InChI

InChI=1S/C11H8ClF3N2O2/c12-8-3-1-7(2-4-8)10(19)5-9(11(13,14)15)16-17(10)6-18/h1-4,6,19H,5H2/t10-/m0/s1

InChI Key

YDFBOXCMQJLKGU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00714684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.64

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

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.25

Polar Surface Area

45.670

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

8006-8292 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8006-8292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8292?
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What is the minimum amount of 8006-8292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8292
  • 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 8006-8292 available by request