4578-0113 Screening compound: (5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

4578-0113 Screening compound: (5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
4578-0113 Screening compound: (5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-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 4578-0113
(5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-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

4578-0113

Molecular Formula

C15H14N4O3S2 (C15 H14 N4 O3 S2)

Compound Name

(5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-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)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C1=NC(NCCO)=C2/C=C(/C(N3)=O)\SC3=S)=CC=CN1C2=O

InChI

InChI=1S/C15H14N4O3S2/c1-8-3-2-5-19-12(8)17-11(16-4-6-20)9(14(19)22)7-10-13(21)18-15(23)24-10/h2-3,5,7,16,20H,4,6H2,1H3,(H,18,21,23)

InChI Key

VNVDCLXCOCRQML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03464851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.473

Distribution Coefficient, logD

-5.364

Water Solubility, LogSw

-1.56

Polar Surface Area

75.432

Acid Dissociation Constant (pKa)

2.51

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4578-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0113?
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What is the minimum amount of 4578-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0113
  • 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 4578-0113 available by request