5756-0243 Screening compound: 4-[(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]butanoic acid

5756-0243 Screening compound: 4-[(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]butanoic acid
5756-0243 Screening compound: 4-[(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]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-0243
4-[(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]butanoic 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

5756-0243

Molecular Formula

C20H22N4O6S2 (C20 H22 N4 O6 S2)

Compound Name

4-[(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]butanoic acid

IUPAC name

4-[(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]butanoic acid

SMILES

OCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCCC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C20H22N4O6S2/c25-9-11-30-10-6-21-17-13(18(28)23-7-2-1-4-15(23)22-17)12-14-19(29)24(20(31)32-14)8-3-5-16(26)27/h1-2,4,7,12,21,25H,3,5-6,8-11H2,(H,26,27)

InChI Key

ZVQIAOUMRGSPEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.653

Distribution Coefficient, logD

-3.466

Water Solubility, LogSw

-1.21

Polar Surface Area

104.859

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 5756-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-0243?
Check Price and Availability of 5756-0243, 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 5756-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-0243
  • 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 5756-0243 available by request