P585-2098 Screening compound: 2-(3-methoxybenzyl)-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

P585-2098 Screening compound: 2-(3-methoxybenzyl)-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione
P585-2098 Screening compound: 2-(3-methoxybenzyl)-4-(4-methylphenyl)-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 P585-2098
2-(3-methoxybenzyl)-4-(4-methylphenyl)-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

P585-2098

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

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

IUPAC name

2-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione

SMILES

Cc(cc1)ccc1N(CN1Cc2cc(OC)ccc2)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C21H21N3O3S/c1-16-8-10-18(11-9-16)24-15-23(14-17-5-3-6-19(13-17)27-2)28(25,26)20-7-4-12-22-21(20)24/h3-13H,14-15H2,1-2H3

InChI Key

UFLRYVQETUACOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.36

Polar Surface Area

52.359

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P585-2098 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P585-2098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2098?
Check Price and Availability of P585-2098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P585-2098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2098
  • 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 P585-2098 available by request