Y020-0558 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Y020-0558 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Y020-0558 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0558
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

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

Y020-0558

Molecular Formula

C20H25FN4OS (C20 H25 FN4 OS)

Compound Name

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(6-methyl-4567-tetrahydro-13-benzothiazol-2-yl)acetamide

SMILES

CC(CC1)Cc2c1nc(NC(CN(CC1)CCN1c(cc1)ccc1F)=O)s2

InChI

InChI=1S/C20H25FN4OS/c1-14-2-7-17-18(12-14)27-20(22-17)23-19(26)13-24-8-10-25(11-9-24)16-5-3-15(21)4-6-16/h3-6,14H,2,7-13H2,1H3,(H,22,23,26)/t14-/m1/s1

InChI Key

NYXLCSQALOVWCX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03941369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.17

Polar Surface Area

41.848

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y020-0558 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0558?
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What is the minimum amount of Y020-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0558
  • 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 Y020-0558 available by request