Y020-9166 Screening compound: 3-[5-hydroxy-4-(4-isopropylbenzyl)-3-methyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y020-9166 Screening compound: 3-[5-hydroxy-4-(4-isopropylbenzyl)-3-methyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y020-9166 Screening compound: 3-[5-hydroxy-4-(4-isopropylbenzyl)-3-methyl-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9166
3-[5-hydroxy-4-(4-isopropylbenzyl)-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

Y020-9166

Molecular Formula

C18H24N2O3S (C18 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(Cc(c(C)nn2C(CC3)CS3(=O)=O)c2O)cc1

InChI

InChI=1S/C18H24N2O3S/c1-12(2)15-6-4-14(5-7-15)10-17-13(3)19-20(18(17)21)16-8-9-24(22,23)11-16/h4-7,12,16,21H,8-11H2,1-3H3/t16-/m1/s1

InChI Key

DPDHUOHPDCLLFI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD18797473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.289

Distribution Coefficient, logD

2.111

Water Solubility, LogSw

-2.30

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

50.00

Y020-9166 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-9166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9166?
Check Price and Availability of Y020-9166, 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 Y020-9166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9166
  • 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 Y020-9166 available by request