3643-3101 Screening compound: methyl 6-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

3643-3101 Screening compound: methyl 6-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
3643-3101 Screening compound: methyl 6-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3101
methyl 6-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

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

3643-3101

Molecular Formula

C18H20BrNO5S2 (C18 H20 BrNO5 S2)

Compound Name

methyl 6-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

IUPAC name

methyl 6-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoate

SMILES

COC(CCCCCN(C(/C(/S1)=C\c(cc2OC)cc(Br)c2O)=O)C1=S)=O

InChI

InChI=1S/C18H20BrNO5S2/c1-24-13-9-11(8-12(19)16(13)22)10-14-17(23)20(18(26)27-14)7-5-3-4-6-15(21)25-2/h8-10,22H,3-7H2,1-2H3

InChI Key

FOEPYNIGMYSDSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.612

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-3.72

Polar Surface Area

60.381

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 3643-3101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3101?
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What is the minimum amount of 3643-3101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3101
  • 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 3643-3101 available by request