Y020-9163 Screening compound: 3-[4-(2-chlorobenzyl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y020-9163 Screening compound: 3-[4-(2-chlorobenzyl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y020-9163 Screening compound: 3-[4-(2-chlorobenzyl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9163
3-[4-(2-chlorobenzyl)-5-hydroxy-3-methyl-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

Y020-9163

Molecular Formula

C15H17ClN2O3S (C15 H17 ClN2 O3 S)

Compound Name

3-[4-(2-chlorobenzyl)-5-hydroxy-3-methyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-1lambda6-thiolane-11-dione

SMILES

Cc1nn(C(CC2)CS2(=O)=O)c(O)c1Cc(cccc1)c1Cl

InChI

InChI=1S/C15H17ClN2O3S/c1-10-13(8-11-4-2-3-5-14(11)16)15(19)18(17-10)12-6-7-22(20,21)9-12/h2-5,12,19H,6-9H2,1H3/t12-/m0/s1

InChI Key

LEYKJPVCLVVSKF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD18796446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.639

Distribution Coefficient, logD

1.461

Water Solubility, LogSw

-2.28

Polar Surface Area

58.087

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y020-9163 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-9163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9163?
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What is the minimum amount of Y020-9163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9163
  • 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 Y020-9163 available by request