5815-0912 Screening compound: 2-[(5E)-5-{[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

5815-0912 Screening compound: 2-[(5E)-5-{[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
5815-0912 Screening compound: 2-[(5E)-5-{[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-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 5815-0912
2-[(5E)-5-{[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-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

5815-0912

Molecular Formula

C22H24N4O4S2 (C22 H24 N4 O4 S2)

Compound Name

2-[(5E)-5-{[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-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-(35-dimethylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

CC(CC(C)C1)CN1C(N=C1N2C=CC=C1C)=C(/C=C(\C(N1CC(O)=O)=O)/SC1=S)C2=O

InChI

InChI=1S/C22H24N4O4S2/c1-12-7-13(2)10-24(9-12)19-15(20(29)25-6-4-5-14(3)18(25)23-19)8-16-21(30)26(11-17(27)28)22(31)32-16/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,27,28)

InChI Key

XVYLZGKLDKZWGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03515465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.937

Distribution Coefficient, logD

-1.181

Water Solubility, LogSw

-2.03

Polar Surface Area

72.779

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 5815-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5815-0912?
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What is the minimum amount of 5815-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5815-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5815-0912
  • 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 5815-0912 available by request