5596-1523 Screening compound: ethyl 2-[2-({2-[(4-chlorophenyl)formamido]acetyl}oxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

5596-1523 Screening compound: ethyl 2-[2-({2-[(4-chlorophenyl)formamido]acetyl}oxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
5596-1523 Screening compound: ethyl 2-[2-({2-[(4-chlorophenyl)formamido]acetyl}oxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-1523
ethyl 2-[2-({2-[(4-chlorophenyl)formamido]acetyl}oxy)acetamido]-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

5596-1523

Molecular Formula

C23H25ClN2O6S (C23 H25 ClN2 O6 S)

Compound Name

ethyl 2-[2-({2-[(4-chlorophenyl)formamido]acetyl}oxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-({2-[(4-chlorophenyl)formamido]acetyl}oxy)acetamido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COC(CNC(c(cc2)ccc2Cl)=O)=O)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C23H25ClN2O6S/c1-3-31-23(30)20-16-9-4-13(2)10-17(16)33-22(20)26-18(27)12-32-19(28)11-25-21(29)14-5-7-15(24)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,25,29)(H,26,27)/t13-/m1/s1

InChI Key

RCGRYCSWLYWROJ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03030021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-4.93

Polar Surface Area

88.804

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

5596-1523 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 5596-1523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-1523?
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What is the minimum amount of 5596-1523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-1523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-1523
  • 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 5596-1523 available by request