1499-1080 Screening compound: prop-2-en-1-yl 3-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

1499-1080 Screening compound: prop-2-en-1-yl 3-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
1499-1080 Screening compound: prop-2-en-1-yl 3-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-1080
prop-2-en-1-yl 3-[(5Z)-5-[(4-methoxyphenyl)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

1499-1080

Molecular Formula

C17H17NO4S2 (C17 H17 NO4 S2)

Compound Name

prop-2-en-1-yl 3-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

IUPAC name

prop-2-en-1-yl 3-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoate

SMILES

COc1ccc(/C=C(/C(N2CCC(OCC=C)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C17H17NO4S2/c1-3-10-22-15(19)8-9-18-16(20)14(24-17(18)23)11-12-4-6-13(21-2)7-5-12/h3-7,11H,1,8-10H2,2H3

InChI Key

CRWCZJHINCGXGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00666945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

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

3.254

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-3.47

Polar Surface Area

44.689

Acid Dissociation Constant (pKa)

23.13

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1499-1080 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1499-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-1080?
Check Price and Availability of 1499-1080, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1499-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-1080
  • 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 1499-1080 available by request