3643-3108 Screening compound: methyl 6-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

3643-3108 Screening compound: methyl 6-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
3643-3108 Screening compound: methyl 6-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3108
methyl 6-[(5E)-5-[(3-hydroxyphenyl)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

3643-3108

Molecular Formula

C17H19NO4S2 (C17 H19 NO4 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(CCCCCN(C(/C(/S1)=C\c2cc(O)ccc2)=O)C1=S)=O

InChI

InChI=1S/C17H19NO4S2/c1-22-15(20)8-3-2-4-9-18-16(21)14(24-17(18)23)11-12-6-5-7-13(19)10-12/h5-7,10-11,19H,2-4,8-9H2,1H3

InChI Key

PMQYPUDRJMXBKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02350961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.01

Polar Surface Area

54.888

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

3643-3108 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3643-3108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3108?
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What is the minimum amount of 3643-3108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3108
  • 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 3643-3108 available by request