5815-0899 Screening compound: 2-[(5E)-5-{[2-(4-carbamoylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

5815-0899 Screening compound: 2-[(5E)-5-{[2-(4-carbamoylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
5815-0899 Screening compound: 2-[(5E)-5-{[2-(4-carbamoylpiperidin-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 5815-0899
2-[(5E)-5-{[2-(4-carbamoylpiperidin-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

5815-0899

Molecular Formula

C20H19N5O5S2 (C20 H19 N5 O5 S2)

Compound Name

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

SMILES

NC(C(CC1)CCN1C(N=C1N2C=CC=C1)=C(/C=C(\C(N1CC(O)=O)=O)/SC1=S)C2=O)=O

InChI

InChI=1S/C20H19N5O5S2/c21-16(28)11-4-7-23(8-5-11)17-12(18(29)24-6-2-1-3-14(24)22-17)9-13-19(30)25(10-15(26)27)20(31)32-13/h1-3,6,9,11H,4-5,7-8,10H2,(H2,21,28)(H,26,27)

InChI Key

XOSVUNNASKSYSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03515452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.760

Distribution Coefficient, logD

-3.879

Water Solubility, LogSw

-0.87

Polar Surface Area

107.950

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 5815-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5815-0899?
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What is the minimum amount of 5815-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5815-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5815-0899
  • 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 5815-0899 available by request