2712-4344 Screening compound: ethyl 6-methyl-2-(pyridine-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2712-4344 Screening compound: ethyl 6-methyl-2-(pyridine-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2712-4344 Screening compound: ethyl 6-methyl-2-(pyridine-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4344
ethyl 6-methyl-2-(pyridine-3-amido)-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

2712-4344

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

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

IUPAC name

ethyl 6-methyl-2-(pyridine-3-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cnccc2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C18H20N2O3S/c1-3-23-18(22)15-13-7-6-11(2)9-14(13)24-17(15)20-16(21)12-5-4-8-19-10-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,20,21)/t11-/m1/s1

InChI Key

JGJFWEKORJVQHS-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01542219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

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

3.385

Distribution Coefficient, logD

-0.590

Water Solubility, LogSw

-3.58

Polar Surface Area

53.316

Acid Dissociation Constant (pKa)

3.43

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

2712-4344 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2712-4344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4344?
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What is the minimum amount of 2712-4344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4344
  • 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 2712-4344 available by request