4578-1171 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4578-1171 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4578-1171 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[7-methyl-2-(morpholin-4-yl)-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 4578-1171
(5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[7-methyl-2-(morpholin-4-yl)-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

4578-1171

Molecular Formula

C25H22N4O5S2 (C25 H22 N4 O5 S2)

Compound Name

(5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-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-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C=CC1=NC(N2CCOCC2)=C2/C=C(/C(N3Cc(cc4)cc5c4OCO5)=O)\SC3=S)=CN1C2=O

InChI

InChI=1S/C25H22N4O5S2/c1-15-2-5-21-26-22(27-6-8-32-9-7-27)17(23(30)28(21)12-15)11-20-24(31)29(25(35)36-20)13-16-3-4-18-19(10-16)34-14-33-18/h2-5,10-12H,6-9,13-14H2,1H3

InChI Key

FVPFEWODIZGLMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.17

Polar Surface Area

70.779

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 4578-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-1171
  • 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 4578-1171 available by request