Y030-7715 Screening compound: 2-(benzylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Y030-7715 Screening compound: 2-(benzylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Y030-7715 Screening compound: 2-(benzylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7715
2-(benzylsulfanyl)-N-(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

Y030-7715

Molecular Formula

C16H18N2OS2 (C16 H18 N2 OS2)

Compound Name

2-(benzylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-(benzylsulfanyl)-N-(4567-tetrahydro-13-benzothiazol-2-yl)acetamide

SMILES

O=C(CSCc1ccccc1)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C16H18N2OS2/c19-15(11-20-10-12-6-2-1-3-7-12)18-16-17-13-8-4-5-9-14(13)21-16/h1-3,6-7H,4-5,8-11H2,(H,17,18,19)

InChI Key

CIUSUNFGIZRJQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04088187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-4.31

Polar Surface Area

34.584

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y030-7715 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y030-7715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7715?
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What is the minimum amount of Y030-7715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7715
  • 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 Y030-7715 available by request