4618-0289 Screening compound: (5Z)-3-(2-ethylhexyl)-5-[(2-{[(furan-2-yl)methyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4618-0289 Screening compound: (5Z)-3-(2-ethylhexyl)-5-[(2-{[(furan-2-yl)methyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4618-0289 Screening compound: (5Z)-3-(2-ethylhexyl)-5-[(2-{[(furan-2-yl)methyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4618-0289
(5Z)-3-(2-ethylhexyl)-5-[(2-{[(furan-2-yl)methyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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

4618-0289

Molecular Formula

C25H28N4O3S2 (C25 H28 N4 O3 S2)

Compound Name

(5Z)-3-(2-ethylhexyl)-5-[(2-{[(furan-2-yl)methyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-(2-ethylhexyl)-5-[(2-{[(furan-2-yl)methyl]amino}-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCCCC(CC)CN(C(/C(/S1)=C/C2=C(NCc3ccco3)N=C(C=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C25H28N4O3S2/c1-3-5-9-17(4-2)16-29-24(31)20(34-25(29)33)14-19-22(26-15-18-10-8-13-32-18)27-21-11-6-7-12-28(21)23(19)30/h6-8,10-14,17,26H,3-5,9,15-16H2,1-2H3/t17-/m0/s1

InChI Key

PCKKHMJYBHOOLL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03145754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.504

Water Solubility, LogSw

-5.40

Polar Surface Area

59.206

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 4618-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4618-0289?
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What is the minimum amount of 4618-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4618-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4618-0289
  • 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 4618-0289 available by request