5756-0242 Screening compound: 6-[(5Z)-5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

5756-0242 Screening compound: 6-[(5Z)-5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
5756-0242 Screening compound: 6-[(5Z)-5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-0242
6-[(5Z)-5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)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

5756-0242

Molecular Formula

C22H26N4O6S2 (C22 H26 N4 O6 S2)

Compound Name

6-[(5Z)-5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

OCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C22H26N4O6S2/c27-11-13-32-12-8-23-19-15(20(30)25-9-5-3-6-17(25)24-19)14-16-21(31)26(22(33)34-16)10-4-1-2-7-18(28)29/h3,5-6,9,14,23,27H,1-2,4,7-8,10-13H2,(H,28,29)

InChI Key

AZBLGAWWKBNWIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03933098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.357

Distribution Coefficient, logD

-2.471

Water Solubility, LogSw

-1.54

Polar Surface Area

104.859

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 5756-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-0242?
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What is the minimum amount of 5756-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-0242
  • 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 5756-0242 available by request