6228-1644 Screening compound: propan-2-yl 2-{4-[(2-chlorophenoxy)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

6228-1644 Screening compound: propan-2-yl 2-{4-[(2-chlorophenoxy)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
6228-1644 Screening compound: propan-2-yl 2-{4-[(2-chlorophenoxy)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1644
propan-2-yl 2-{4-[(2-chlorophenoxy)methyl]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

6228-1644

Molecular Formula

C26H26ClNO4S (C26 H26 ClNO4 S)

Compound Name

propan-2-yl 2-{4-[(2-chlorophenoxy)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-{4-[(2-chlorophenoxy)methyl]benzamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c2ccc(COc(cccc3)c3Cl)cc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C26H26ClNO4S/c1-16(2)32-26(30)23-19-7-3-6-10-22(19)33-25(23)28-24(29)18-13-11-17(12-14-18)15-31-21-9-5-4-8-20(21)27/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,28,29)

InChI Key

ZJGNYJOYLCADPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02055264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.459

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-6.23

Polar Surface Area

50.791

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

6228-1644 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 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 6228-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1644?
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What is the minimum amount of 6228-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1644
  • 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 6228-1644 available by request