3324-0536 Screening compound: 2-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3324-0536 Screening compound: 2-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3324-0536 Screening compound: 2-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3324-0536
2-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

3324-0536

Molecular Formula

C23H22BrN3O3S3 (C23 H22 BrN3 O3 S3)

Compound Name

2-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanamido}-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(CCCN(C(/C(/S2)=C/c3cccc(Br)c3)=O)C2=S)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H22BrN3O3S3/c24-14-6-3-5-13(11-14)12-17-22(30)27(23(31)33-17)10-4-9-18(28)26-21-19(20(25)29)15-7-1-2-8-16(15)32-21/h3,5-6,11-12H,1-2,4,7-10H2,(H2,25,29)(H,26,28)

InChI Key

RICVKKRGRXIZOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.77

Polar Surface Area

73.344

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 3324-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3324-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3324-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3324-0536
  • 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 3324-0536 available by request