1611-2600 Screening compound: 2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide

1611-2600 Screening compound: 2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide
1611-2600 Screening compound: 2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-2600
2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide

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

1611-2600

Molecular Formula

C19H17N3O5S3 (C19 H17 N3 O5 S3)

Compound Name

2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide

IUPAC name

2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide

SMILES

COc1ccc(/C=C(\C(N2CC(Nc(cc3)ccc3S(N)(=O)=O)=O)=O)/SC2=S)cc1

InChI

InChI=1S/C19H17N3O5S3/c1-27-14-6-2-12(3-7-14)10-16-18(24)22(19(28)29-16)11-17(23)21-13-4-8-15(9-5-13)30(20,25)26/h2-10H,11H2,1H3,(H,21,23)(H2,20,25,26)

InChI Key

RFKQXAADXHUWCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01161968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-2.84

Polar Surface Area

97.739

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1611-2600 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1611-2600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-2600?
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What is the minimum amount of 1611-2600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-2600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-2600
  • 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 1611-2600 available by request