4428-0533 Screening compound: 6-[(5Z)-5-[(9-methyl-2-{[2-(morpholin-4-yl)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

4428-0533 Screening compound: 6-[(5Z)-5-[(9-methyl-2-{[2-(morpholin-4-yl)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
4428-0533 Screening compound: 6-[(5Z)-5-[(9-methyl-2-{[2-(morpholin-4-yl)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 4428-0533
6-[(5Z)-5-[(9-methyl-2-{[2-(morpholin-4-yl)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

4428-0533

Molecular Formula

C25H31N5O5S2 (C25 H31 N5 O5 S2)

Compound Name

6-[(5Z)-5-[(9-methyl-2-{[2-(morpholin-4-yl)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-[(9-methyl-2-{[2-(morpholin-4-yl)ethyl]amino}-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

CC(C1=NC(NCCN2CCOCC2)=C2/C=C(/C(N3CCCCCC(O)=O)=O)\SC3=S)=CC=CN1C2=O

InChI

InChI=1S/C25H31N5O5S2/c1-17-6-5-10-29-22(17)27-21(26-8-11-28-12-14-35-15-13-28)18(23(29)33)16-19-24(34)30(25(36)37-19)9-4-2-3-7-20(31)32/h5-6,10,16,26H,2-4,7-9,11-15H2,1H3,(H,31,32)

InChI Key

FEHLZQHKFSOPMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03286698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.168

Distribution Coefficient, logD

-1.660

Water Solubility, LogSw

-1.75

Polar Surface Area

90.572

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with 4428-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0533?
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What is the minimum amount of 4428-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0533
  • 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 4428-0533 available by request