Y020-9167 Screening compound: 3-[5-hydroxy-3-methyl-4-(1-naphthylmethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y020-9167 Screening compound: 3-[5-hydroxy-3-methyl-4-(1-naphthylmethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y020-9167 Screening compound: 3-[5-hydroxy-3-methyl-4-(1-naphthylmethyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9167
3-[5-hydroxy-3-methyl-4-(1-naphthylmethyl)-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

Y020-9167

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn(C(CC2)CS2(=O)=O)c(O)c1Cc1cccc2ccccc12

InChI

InChI=1S/C19H20N2O3S/c1-13-18(11-15-7-4-6-14-5-2-3-8-17(14)15)19(22)21(20-13)16-9-10-25(23,24)12-16/h2-8,16,22H,9-12H2,1H3/t16-/m1/s1

InChI Key

PCZCQTAEPGCWEF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD18796580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

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

2.075

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-2.45

Polar Surface Area

57.815

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

Y020-9167 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-9167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9167?
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What is the minimum amount of Y020-9167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9167
  • 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 Y020-9167 available by request