4678-0059 Screening compound: (5Z)-5-({2-[(3-methoxypropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0059 Screening compound: (5Z)-5-({2-[(3-methoxypropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0059 Screening compound: (5Z)-5-({2-[(3-methoxypropyl)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 4678-0059
(5Z)-5-({2-[(3-methoxypropyl)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

4678-0059

Molecular Formula

C24H24N4O3S2 (C24 H24 N4 O3 S2)

Compound Name

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

SMILES

COCCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCc3ccccc3)=O)\SC1=S)C2=O

InChI

InChI=1S/C24H24N4O3S2/c1-31-15-7-12-25-21-18(22(29)27-13-6-5-10-20(27)26-21)16-19-23(30)28(24(32)33-19)14-11-17-8-3-2-4-9-17/h2-6,8-10,13,16,25H,7,11-12,14-15H2,1H3

InChI Key

VDXHJYAKRLDYAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.44

Polar Surface Area

59.619

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4678-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4678-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0059
  • 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 4678-0059 available by request