Y020-3361F Screening compound: 1-(4-chlorophenyl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-pyrazol-5-ol

Y020-3361F Screening compound: 1-(4-chlorophenyl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-pyrazol-5-ol
Y020-3361F Screening compound: 1-(4-chlorophenyl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3361F
1-(4-chlorophenyl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-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

Y020-3361F

Molecular Formula

C13H11ClN4OS2 (C13 H11 ClN4 OS2)

Compound Name

1-(4-chlorophenyl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-pyrazol-5-ol

IUPAC name

1-(4-chlorophenyl)-3-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}-1H-pyrazol-5-ol

SMILES

Cc1nnc(SCc(cc2O)nn2-c(cc2)ccc2Cl)s1

InChI

InChI=1S/C13H11ClN4OS2/c1-8-15-16-13(21-8)20-7-10-6-12(19)18(17-10)11-4-2-9(14)3-5-11/h2-6,19H,7H2,1H3

InChI Key

HBBXBVVHRDWUTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08719411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-2.90

Polar Surface Area

53.699

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y020-3361F in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-3361F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3361F?
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What is the minimum amount of Y020-3361F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3361F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3361F
  • 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 Y020-3361F available by request