4428-0204 Screening compound: (5Z)-3-benzyl-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

4428-0204 Screening compound: (5Z)-3-benzyl-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
4428-0204 Screening compound: (5Z)-3-benzyl-5-({4-oxo-2-[(prop-2-en-1-yl)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 4428-0204
(5Z)-3-benzyl-5-({4-oxo-2-[(prop-2-en-1-yl)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

4428-0204

Molecular Formula

C22H18N4O2S2 (C22 H18 N4 O2 S2)

Compound Name

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

IUPAC name

(5Z)-3-benzyl-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C=CCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1Cc3ccccc3)=O)\SC1=S)C2=O

InChI

InChI=1S/C22H18N4O2S2/c1-2-11-23-19-16(20(27)25-12-7-6-10-18(25)24-19)13-17-21(28)26(22(29)30-17)14-15-8-4-3-5-9-15/h2-10,12-13,23H,1,11,14H2

InChI Key

ZPGZCCJPJULESV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.29

Polar Surface Area

51.298

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 4428-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0204?
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What is the minimum amount of 4428-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0204
  • 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 4428-0204 available by request