4678-0186 Screening compound: (5Z)-5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0186 Screening compound: (5Z)-5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0186 Screening compound: (5Z)-5-{[2-(ethylamino)-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 4678-0186
(5Z)-5-{[2-(ethylamino)-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

4678-0186

Molecular Formula

C17H18N4O2S2 (C17 H18 N4 O2 S2)

Compound Name

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

IUPAC name

(5Z)-5-{[2-(ethylamino)-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(NCC)N=C(C=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C17H18N4O2S2/c1-3-8-21-16(23)12(25-17(21)24)10-11-14(18-4-2)19-13-7-5-6-9-20(13)15(11)22/h5-7,9-10,18H,3-4,8H2,1-2H3

InChI Key

MEOJMNOHLIUPCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-2.39

Polar Surface Area

51.333

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4678-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0186?
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What is the minimum amount of 4678-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0186
  • 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 4678-0186 available by request