P585-2142 Screening compound: ethyl 2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]butanoate

P585-2142 Screening compound: ethyl 2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]butanoate
P585-2142 Screening compound: ethyl 2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2142
ethyl 2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]butanoate

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

P585-2142

Molecular Formula

C19H23N3O4S (C19 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OCC)=O)N(CN(c1ccc(C)cc1)c1c2cccn1)S2(=O)=O

InChI

InChI=1S/C19H23N3O4S/c1-4-16(19(23)26-5-2)22-13-21(15-10-8-14(3)9-11-15)18-17(27(22,24)25)7-6-12-20-18/h6-12,16H,4-5,13H2,1-3H3/t16-/m0/s1

InChI Key

TYVBLKZINPJVAS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27605714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.81

Polar Surface Area

65.327

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

P585-2142 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P585-2142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2142?
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What is the minimum amount of P585-2142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2142
  • 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 P585-2142 available by request