P585-2047 Screening compound: [4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide

P585-2047 Screening compound: [4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide
P585-2047 Screening compound: [4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2047
[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide

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

P585-2047

Molecular Formula

C15H14N4O2S (C15 H14 N4 O2 S)

Compound Name

[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide

IUPAC name

2-[4-(4-methylphenyl)-11-dioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]acetonitrile

SMILES

Cc(cc1)ccc1N(CN1CC#N)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C15H14N4O2S/c1-12-4-6-13(7-5-12)19-11-18(10-8-16)22(20,21)14-3-2-9-17-15(14)19/h2-7,9H,10-11H2,1H3

InChI Key

DFVJCHKTVUKHKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.42

Polar Surface Area

62.557

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P585-2047 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with P585-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2047?
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What is the minimum amount of P585-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2047
  • 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 P585-2047 available by request