4578-0159 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

4578-0159 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
4578-0159 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0159
(5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(3-methoxypropyl)-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

4578-0159

Molecular Formula

C25H26N4O3S2 (C25 H26 N4 O3 S2)

Compound Name

(5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-3-(3-methoxypropyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C1=NC(N(C)Cc2ccccc2)=C2/C=C(/C(N3CCCOC)=O)\SC3=S)=CC=CN1C2=O

InChI

InChI=1S/C25H26N4O3S2/c1-17-9-7-12-28-21(17)26-22(27(2)16-18-10-5-4-6-11-18)19(23(28)30)15-20-24(31)29(25(33)34-20)13-8-14-32-3/h4-7,9-12,15H,8,13-14,16H2,1-3H3

InChI Key

GFDIFZZKEXBTOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.65

Polar Surface Area

52.351

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 4578-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0159?
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What is the minimum amount of 4578-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0159
  • 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 4578-0159 available by request