5898-0220 Screening compound: 2-[(5E)-5-({9-methyl-2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

5898-0220 Screening compound: 2-[(5E)-5-({9-methyl-2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
5898-0220 Screening compound: 2-[(5E)-5-({9-methyl-2-[(2-methylpropyl)amino]-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 5898-0220
2-[(5E)-5-({9-methyl-2-[(2-methylpropyl)amino]-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

5898-0220

Molecular Formula

C19H20N4O4S2 (C19 H20 N4 O4 S2)

Compound Name

2-[(5E)-5-({9-methyl-2-[(2-methylpropyl)amino]-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-({9-methyl-2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

CC(C)CNC(N=C1N2C=CC=C1C)=C(/C=C(\C(N1CC(O)=O)=O)/SC1=S)C2=O

InChI

InChI=1S/C19H20N4O4S2/c1-10(2)8-20-15-12(17(26)22-6-4-5-11(3)16(22)21-15)7-13-18(27)23(9-14(24)25)19(28)29-13/h4-7,10,20H,8-9H2,1-3H3,(H,24,25)

InChI Key

BXUZQSVXYQYYKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06265381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.943

Distribution Coefficient, logD

-2.176

Water Solubility, LogSw

-1.75

Polar Surface Area

79.133

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 5898-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5898-0220?
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What is the minimum amount of 5898-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5898-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5898-0220
  • 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 5898-0220 available by request