P585-2112 Screening compound: 4-(4-methylphenyl)-2-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

P585-2112 Screening compound: 4-(4-methylphenyl)-2-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione
P585-2112 Screening compound: 4-(4-methylphenyl)-2-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2112
4-(4-methylphenyl)-2-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

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

P585-2112

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

4-(4-methylphenyl)-2-(2-oxo-2-piperidinoethyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

IUPAC name

4-(4-methylphenyl)-2-[2-oxo-2-(piperidin-1-yl)ethyl]-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione

SMILES

Cc(cc1)ccc1N(CN1CC(N2CCCCC2)=O)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C20H24N4O3S/c1-16-7-9-17(10-8-16)24-15-23(14-19(25)22-12-3-2-4-13-22)28(26,27)18-6-5-11-21-20(18)24/h5-11H,2-4,12-15H2,1H3

InChI Key

AHGJMFGGQODYIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.04

Polar Surface Area

61.208

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with P585-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2112?
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What is the minimum amount of P585-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2112
  • 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 P585-2112 available by request