4578-1167 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(7-methyl-4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4578-1167 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(7-methyl-4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4578-1167 Screening compound: (5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(7-methyl-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 4578-1167
(5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(7-methyl-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

4578-1167

Molecular Formula

C26H24N4O5S2 (C26 H24 N4 O5 S2)

Compound Name

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

SMILES

CC(C=CC1=NC(NCC2OCCC2)=C2/C=C(/C(N3Cc(cc4)cc5c4OCO5)=O)\SC3=S)=CN1C2=O

InChI

InChI=1S/C26H24N4O5S2/c1-15-4-7-22-28-23(27-11-17-3-2-8-33-17)18(24(31)29(22)12-15)10-21-25(32)30(26(36)37-21)13-16-5-6-19-20(9-16)35-14-34-19/h4-7,9-10,12,17,27H,2-3,8,11,13-14H2,1H3/t17-/m1/s1

InChI Key

YYRUTJDPAXHYML-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04446695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.63

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

2.976

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.29

Polar Surface Area

77.474

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4578-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-1167?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-1167
  • 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 4578-1167 available by request