7684-1319 Screening compound: methyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

7684-1319 Screening compound: methyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
7684-1319 Screening compound: methyl 2-{2-[(dimethylsulfamoyl)(phenyl)amino]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7684-1319
methyl 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

7684-1319

Molecular Formula

C20H25N3O5S2 (C20 H25 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(N(CC(Nc1c(C(OC)=O)c(CCCC2)c2s1)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C20H25N3O5S2/c1-22(2)30(26,27)23(14-9-5-4-6-10-14)13-17(24)21-19-18(20(25)28-3)15-11-7-8-12-16(15)29-19/h4-6,9-10H,7-8,11-13H2,1-3H3,(H,21,24)

InChI Key

GTKWUQAYGLYDMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07358400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

0.833

Water Solubility, LogSw

-3.51

Polar Surface Area

80.189

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

7684-1319 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 7684-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7684-1319?
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What is the minimum amount of 7684-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7684-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7684-1319
  • 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 7684-1319 available by request