3130-1003 Screening compound: methyl 3-[(5Z)-5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

3130-1003 Screening compound: methyl 3-[(5Z)-5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
3130-1003 Screening compound: methyl 3-[(5Z)-5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-1003
methyl 3-[(5Z)-5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

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

3130-1003

Molecular Formula

C21H19NO4S2 (C21 H19 NO4 S2)

Compound Name

methyl 3-[(5Z)-5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

IUPAC name

methyl 3-[(5Z)-5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoate

SMILES

COC(CCN(C(/C(/S1)=C/c2cc(OCc3ccccc3)ccc2)=O)C1=S)=O

InChI

InChI=1S/C21H19NO4S2/c1-25-19(23)10-11-22-20(24)18(28-21(22)27)13-16-8-5-9-17(12-16)26-14-15-6-3-2-4-7-15/h2-9,12-13H,10-11,14H2,1H3

InChI Key

VHAGOGQJNRAICK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.34

Polar Surface Area

44.499

Acid Dissociation Constant (pKa)

23.13

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3130-1003 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3130-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-1003?
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What is the minimum amount of 3130-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-1003
  • 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 3130-1003 available by request