4678-0212 Screening compound: (5Z)-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0212 Screening compound: (5Z)-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0212 Screening compound: (5Z)-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0212
(5Z)-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-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

4678-0212

Molecular Formula

C20H22N4O3S2 (C20 H22 N4 O3 S2)

Compound Name

(5Z)-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCCN(C(/C(/S1)=C/C2=C(N3CCOCC3)N=C(C=CC(C)=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C20H22N4O3S2/c1-3-6-23-19(26)15(29-20(23)28)11-14-17(22-7-9-27-10-8-22)21-16-5-4-13(2)12-24(16)18(14)25/h4-5,11-12H,3,6-10H2,1-2H3

InChI Key

HQYYKAUGWJCLAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.16

Polar Surface Area

53.913

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4678-0212 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4678-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0212?
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What is the minimum amount of 4678-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0212
  • 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 4678-0212 available by request