4578-0122 Screening compound: (5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

4578-0122 Screening compound: (5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
4578-0122 Screening compound: (5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0122
(5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-[(oxolan-2-yl)methyl]-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

4578-0122

Molecular Formula

C20H22N4O4S2 (C20 H22 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(NCCO)=C2/C=C(/C(N3CC4OCCC4)=O)\SC3=S)=CC=CN1C2=O

InChI

InChI=1S/C20H22N4O4S2/c1-12-4-2-7-23-17(12)22-16(21-6-8-25)14(18(23)26)10-15-19(27)24(20(29)30-15)11-13-5-3-9-28-13/h2,4,7,10,13,21,25H,3,5-6,8-9,11H2,1H3/t13-/m1/s1

InChI Key

HDYYCKXSQVYNPH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03297604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.712

Distribution Coefficient, logD

0.712

Water Solubility, LogSw

-1.50

Polar Surface Area

75.629

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4578-0122 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4578-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0122?
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What is the minimum amount of 4578-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0122
  • 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 4578-0122 available by request