4578-1123 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4578-1123 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4578-1123 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-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 4578-1123
(5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-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

4578-1123

Molecular Formula

C25H22N4O5S2 (C25 H22 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C/C2=C(NCC3OCCC3)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)cc3c2OCO3)C1=S

InChI

InChI=1S/C25H22N4O5S2/c30-23-17(22(26-12-16-4-3-9-32-16)27-21-5-1-2-8-28(21)23)11-20-24(31)29(25(35)36-20)13-15-6-7-18-19(10-15)34-14-33-18/h1-2,5-8,10-11,16,26H,3-4,9,12-14H2/t16-/m1/s1

InChI Key

IMPOSTVHAGFZGF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03294168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.06

Polar Surface Area

76.955

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 4578-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-1123?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-1123
  • 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 4578-1123 available by request