1988-0177 Screening compound: 6-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide

1988-0177 Screening compound: 6-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide
1988-0177 Screening compound: 6-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0177
6-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide

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

1988-0177

Molecular Formula

C19H18BrN3O2S3 (C19 H18 BrN3 O2 S3)

Compound Name

6-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)hexanamide

IUPAC name

6-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(13-thiazol-2-yl)hexanamide

SMILES

O=C(CCCCCN(C(/C(/S1)=C/c(cc2)ccc2Br)=O)C1=S)Nc1nccs1

InChI

InChI=1S/C19H18BrN3O2S3/c20-14-7-5-13(6-8-14)12-15-17(25)23(19(26)28-15)10-3-1-2-4-16(24)22-18-21-9-11-27-18/h5-9,11-12H,1-4,10H2,(H,21,22,24)

InChI Key

BIWDHHJJAZZYOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01026678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.28

Polar Surface Area

50.049

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 1988-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0177
  • 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 1988-0177 available by request