4678-0130 Screening compound: (5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0130 Screening compound: (5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0130 Screening compound: (5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0130
(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-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

4678-0130

Molecular Formula

C28H31N5O3S2 (C28 H31 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(NCCCN2CCOCC2)=C2/C=C(/C(N3CCc4ccccc4)=O)\SC3=S)=CC=CN1C2=O

InChI

InChI=1S/C28H31N5O3S2/c1-20-7-5-13-32-25(20)30-24(29-11-6-12-31-15-17-36-18-16-31)22(26(32)34)19-23-27(35)33(28(37)38-23)14-10-21-8-3-2-4-9-21/h2-5,7-9,13,19,29H,6,10-12,14-18H2,1H3

InChI Key

QGJCKBKZAAKDDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03285326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-3.23

Polar Surface Area

61.917

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 4678-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0130?
Check Price and Availability of 4678-0130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4678-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0130
  • 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 4678-0130 available by request