5898-0115 Screening compound: 2-[(5E)-5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

5898-0115 Screening compound: 2-[(5E)-5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
5898-0115 Screening compound: 2-[(5E)-5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5898-0115
2-[(5E)-5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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

5898-0115

Molecular Formula

C24H20FN5O4S2 (C24 H20 FN5 O4 S2)

Compound Name

2-[(5E)-5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C\C2=C(N(CC3)CCN3c(cccc3)c3F)N=C(C=CC=C3)N3C2=O)=O)C1=S)=O

InChI

InChI=1S/C24H20FN5O4S2/c25-16-5-1-2-6-17(16)27-9-11-28(12-10-27)21-15(22(33)29-8-4-3-7-19(29)26-21)13-18-23(34)30(14-20(31)32)24(35)36-18/h1-8,13H,9-12,14H2,(H,31,32)

InChI Key

UWHWBKUGHDWJSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03687003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.675

Distribution Coefficient, logD

-1.444

Water Solubility, LogSw

-2.18

Polar Surface Area

76.851

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 5898-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5898-0115?
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What is the minimum amount of 5898-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5898-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5898-0115
  • 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 5898-0115 available by request