3807-3107 Screening compound: ethyl 2-(4-fluorobenzamido)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3807-3107 Screening compound: ethyl 2-(4-fluorobenzamido)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3807-3107 Screening compound: ethyl 2-(4-fluorobenzamido)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-3107
ethyl 2-(4-fluorobenzamido)-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

3807-3107

Molecular Formula

C19H20FNO3S (C19 H20 FNO3 S)

Compound Name

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

IUPAC name

ethyl 2-(4-fluorobenzamido)-5-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2F)=O)sc2c1CC(C)CC2)=O

InChI

InChI=1S/C19H20FNO3S/c1-3-24-19(23)16-14-10-11(2)4-9-15(14)25-18(16)21-17(22)12-5-7-13(20)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,21,22)/t11-/m1/s1

InChI Key

NJOKGKQLRWLCMV-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01557026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

0.077

Water Solubility, LogSw

-4.57

Polar Surface Area

43.798

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

-7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

3807-3107 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 3807-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-3107?
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What is the minimum amount of 3807-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-3107
  • 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 3807-3107 available by request