8009-0468 Screening compound: 3-[(1E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

8009-0468 Screening compound: 3-[(1E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
8009-0468 Screening compound: 3-[(1E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0468
3-[(1E)-2-(thiophen-2-yl)ethenyl]-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

8009-0468

Molecular Formula

C10H9F3N2OS (C10 H9 F3 N2 OS)

Compound Name

3-[(1E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-[(1E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)NN=C1/C=C/c1cccs1

InChI

InChI=1S/C10H9F3N2OS/c11-10(12,13)9(16)6-7(14-15-9)3-4-8-2-1-5-17-8/h1-5,15-16H,6H2/t9-/m0/s1

InChI Key

MPHFSIYFSXOZEZ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01419218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-2.21

Polar Surface Area

41.990

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8009-0468 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 8009-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0468?
Check Price and Availability of 8009-0468, 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 8009-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0468
  • 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 8009-0468 available by request