Y070-1405 Screening compound: 2-(2-methylbenzamido)-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Y070-1405 Screening compound: 2-(2-methylbenzamido)-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Y070-1405 Screening compound: 2-(2-methylbenzamido)-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1405
2-(2-methylbenzamido)-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

Y070-1405

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

2-(2-methylbenzamido)-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-(2-methylbenzamido)-N-[(oxolan-2-yl)methyl]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc(cccc1)c1C(Nc1c(C(NCC2OCCC2)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C22H26N2O3S/c1-14-7-2-3-9-16(14)20(25)24-22-19(17-10-4-5-11-18(17)28-22)21(26)23-13-15-8-6-12-27-15/h2-3,7,9,15H,4-6,8,10-13H2,1H3,(H,23,26)(H,24,25)/t15-/m1/s1

InChI Key

HZHQJHODXLPTLC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02977997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

0.709

Water Solubility, LogSw

-3.83

Polar Surface Area

56.112

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

Y070-1405 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y070-1405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1405?
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What is the minimum amount of Y070-1405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1405
  • 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 Y070-1405 available by request