4618-0027 Screening compound: (5Z)-3-ethyl-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

4618-0027 Screening compound: (5Z)-3-ethyl-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
4618-0027 Screening compound: (5Z)-3-ethyl-5-({2-[4-(2-hydroxyethyl)piperazin-1-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 4618-0027
(5Z)-3-ethyl-5-({2-[4-(2-hydroxyethyl)piperazin-1-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

4618-0027

Molecular Formula

C20H23N5O3S2 (C20 H23 N5 O3 S2)

Compound Name

(5Z)-3-ethyl-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-ethyl-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C/C2=C(N3CCN(CCO)CC3)N=C(C=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C20H23N5O3S2/c1-2-24-19(28)15(30-20(24)29)13-14-17(23-9-7-22(8-10-23)11-12-26)21-16-5-3-4-6-25(16)18(14)27/h3-6,13,26H,2,7-12H2,1H3

InChI Key

FDGSNYJYQYNDQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01954197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.082

Distribution Coefficient, logD

1.003

Water Solubility, LogSw

-1.64

Polar Surface Area

65.678

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4618-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4618-0027?
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What is the minimum amount of 4618-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4618-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4618-0027
  • 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 4618-0027 available by request