4678-0143 Screening compound: (5Z)-3-benzyl-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0143 Screening compound: (5Z)-3-benzyl-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0143 Screening compound: (5Z)-3-benzyl-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-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 4678-0143
(5Z)-3-benzyl-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-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

4678-0143

Molecular Formula

C26H27N5O3S2 (C26 H27 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C/C2=C(NCCCN3CCOCC3)N=C(C=CC=C3)N3C2=O)N(Cc2ccccc2)C1=S

InChI

InChI=1S/C26H27N5O3S2/c32-24-20(17-21-25(33)31(26(35)36-21)18-19-7-2-1-3-8-19)23(28-22-9-4-5-12-30(22)24)27-10-6-11-29-13-15-34-16-14-29/h1-5,7-9,12,17,27H,6,10-11,13-16,18H2

InChI Key

XXINVMBFJAVTQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.234

Water Solubility, LogSw

-2.72

Polar Surface Area

62.918

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4678-0143 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 4678-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0143?
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What is the minimum amount of 4678-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0143
  • 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 4678-0143 available by request