2748-0016 Screening compound: ethyl 2-(5-bromofuran-2-amido)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2748-0016 Screening compound: ethyl 2-(5-bromofuran-2-amido)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2748-0016 Screening compound: ethyl 2-(5-bromofuran-2-amido)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2748-0016
ethyl 2-(5-bromofuran-2-amido)-5-methyl-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

2748-0016

Molecular Formula

C17H18BrNO4S (C17 H18 BrNO4 S)

Compound Name

ethyl 2-(5-bromofuran-2-amido)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(5-bromofuran-2-amido)-5-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(o2)ccc2Br)=O)sc2c1CC(C)CC2)=O

InChI

InChI=1S/C17H18BrNO4S/c1-3-22-17(21)14-10-8-9(2)4-6-12(10)24-16(14)19-15(20)11-5-7-13(18)23-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,19,20)/t9-/m1/s1

InChI Key

HLVHGXYAZQTIOX-SECBINFHSA-N

MDL Number (MFCD)

MFCD01817234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

-0.264

Water Solubility, LogSw

-4.61

Polar Surface Area

52.724

Acid Dissociation Constant (pKa)

2.38

Base Dissociation Constant (pKb)

-6.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

2748-0016 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2748-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2748-0016?
Check Price and Availability of 2748-0016, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2748-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2748-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2748-0016
  • 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 2748-0016 available by request