3453-1642 Screening compound: 6-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

3453-1642 Screening compound: 6-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
3453-1642 Screening compound: 6-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1642
6-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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

3453-1642

Molecular Formula

C22H29NO5S2 (C22 H29 NO5 S2)

Compound Name

6-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

CCCCCOc(ccc(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)c1)c1OC

InChI

InChI=1S/C22H29NO5S2/c1-3-4-8-13-28-17-11-10-16(14-18(17)27-2)15-19-21(26)23(22(29)30-19)12-7-5-6-9-20(24)25/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,24,25)

InChI Key

KMUGZJZPEHXVIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-4.36

Polar Surface Area

60.211

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 3453-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1642?
Check Price and Availability of 3453-1642, 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 3453-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1642
  • 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 3453-1642 available by request