L150-0242 Screening compound: ethyl 2-{4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

L150-0242 Screening compound: ethyl 2-{4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
L150-0242 Screening compound: ethyl 2-{4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L150-0242
ethyl 2-{4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

L150-0242

Molecular Formula

C20H21N5O3S2 (C20 H21 N5 O3 S2)

Compound Name

ethyl 2-{4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{4-[5-(methylsulfanyl)-1H-1234-tetrazol-1-yl]benzamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2-n2nnnc2SC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H21N5O3S2/c1-3-28-19(27)16-14-6-4-5-7-15(14)30-18(16)21-17(26)12-8-10-13(11-9-12)25-20(29-2)22-23-24-25/h8-11H,3-7H2,1-2H3,(H,21,26)

InChI Key

VTULZQUGHCZXKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

0.128

Water Solubility, LogSw

-4.26

Polar Surface Area

83.720

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L150-0242 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L150-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L150-0242?
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What is the minimum amount of L150-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L150-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L150-0242
  • 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 L150-0242 available by request