6228-1443 Screening compound: ethyl 2-{5-[(4-ethylphenoxy)methyl]furan-2-amido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

6228-1443 Screening compound: ethyl 2-{5-[(4-ethylphenoxy)methyl]furan-2-amido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
6228-1443 Screening compound: ethyl 2-{5-[(4-ethylphenoxy)methyl]furan-2-amido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1443
ethyl 2-{5-[(4-ethylphenoxy)methyl]furan-2-amido}-6-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

6228-1443

Molecular Formula

C26H29NO5S (C26 H29 NO5 S)

Compound Name

ethyl 2-{5-[(4-ethylphenoxy)methyl]furan-2-amido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{5-[(4-ethylphenoxy)methyl]furan-2-amido}-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCc(cc1)ccc1OCc1ccc(C(Nc2c(C(OCC)=O)c(CCC(C)C3)c3s2)=O)o1

InChI

InChI=1S/C26H29NO5S/c1-4-17-7-9-18(10-8-17)31-15-19-11-13-21(32-19)24(28)27-25-23(26(29)30-5-2)20-12-6-16(3)14-22(20)33-25/h7-11,13,16H,4-6,12,14-15H2,1-3H3,(H,27,28)/t16-/m1/s1

InChI Key

KYBQTWXBXOSEPQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01919625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.632

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-5.80

Polar Surface Area

58.867

Acid Dissociation Constant (pKa)

4.40

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

6228-1443 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 6228-1443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1443?
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What is the minimum amount of 6228-1443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1443
  • 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 6228-1443 available by request