3643-3113 Screening compound: methyl 6-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

3643-3113 Screening compound: methyl 6-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
3643-3113 Screening compound: methyl 6-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3113
methyl 6-[(5E)-5-[(3-nitrophenyl)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

3643-3113

Molecular Formula

C17H18N2O5S2 (C17 H18 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(CCCCCN(C(/C(/S1)=C\c2cc([N+]([O-])=O)ccc2)=O)C1=S)=O

InChI

InChI=1S/C17H18N2O5S2/c1-24-15(20)8-3-2-4-9-18-16(21)14(26-17(18)25)11-12-6-5-7-13(10-12)19(22)23/h5-7,10-11H,2-4,8-9H2,1H3

InChI Key

ZQROBGUYCRPNOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.83

Polar Surface Area

70.653

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 3643-3113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3113?
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What is the minimum amount of 3643-3113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3113
  • 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 3643-3113 available by request