7582-1559 Screening compound: ethyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

7582-1559 Screening compound: ethyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
7582-1559 Screening compound: ethyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7582-1559
ethyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-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

7582-1559

Molecular Formula

C21H27N3O5S2 (C21 H27 N3 O5 S2)

Compound Name

ethyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CN(c2ccccc2)S(N(C)C)(=O)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H27N3O5S2/c1-4-29-21(26)19-16-12-8-9-13-17(16)30-20(19)22-18(25)14-24(31(27,28)23(2)3)15-10-6-5-7-11-15/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,22,25)

InChI Key

VDYVPEGJEGQHGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06623325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-3.74

Polar Surface Area

79.769

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

7582-1559 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7582-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7582-1559?
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What is the minimum amount of 7582-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7582-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7582-1559
  • 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 7582-1559 available by request