Y020-1832 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one

Y020-1832 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Y020-1832 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1832
2-(1,3-benzothiazol-2-yloxy)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one

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

Y020-1832

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

2-(1,3-benzothiazol-2-yloxy)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

2-(13-benzothiazol-2-yloxy)-1-(5-phenyl-45-dihydro-1H-pyrazol-1-yl)ethan-1-one

SMILES

O=C(COc1nc(cccc2)c2s1)N1N=CCC1c1ccccc1

InChI

InChI=1S/C18H15N3O2S/c22-17(12-23-18-20-14-8-4-5-9-16(14)24-18)21-15(10-11-19-21)13-6-2-1-3-7-13/h1-9,11,15H,10,12H2/t15-/m0/s1

InChI Key

KHCZLIMMFRSEQA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07181376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-4.12

Polar Surface Area

46.422

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

Y020-1832 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-1832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1832?
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What is the minimum amount of Y020-1832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1832
  • 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 Y020-1832 available by request