Y020-9176 Screening compound: 3-[5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y020-9176 Screening compound: 3-[5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y020-9176 Screening compound: 3-[5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9176
3-[5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

Y020-9176

Molecular Formula

C8H9F3N2O3S (C8 H9 F3 N2 O3 S)

Compound Name

3-[5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

Oc1cc(C(F)(F)F)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C8H9F3N2O3S/c9-8(10,11)6-3-7(14)13(12-6)5-1-2-17(15,16)4-5/h3,5,14H,1-2,4H2/t5-/m1/s1

InChI Key

IEADQKCEHOIOAM-RXMQYKEDSA-N

MDL Number (MFCD)

MFCD18797347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.062

Distribution Coefficient, logD

-0.850

Water Solubility, LogSw

-1.35

Polar Surface Area

59.074

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

Y020-9176 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 Y020-9176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9176?
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What is the minimum amount of Y020-9176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9176
  • 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 Y020-9176 available by request