P585-2057 Screening compound: 4-(4-methylphenyl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

P585-2057 Screening compound: 4-(4-methylphenyl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione
P585-2057 Screening compound: 4-(4-methylphenyl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-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 P585-2057
4-(4-methylphenyl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-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

P585-2057

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

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

SMILES

Cc(cc1)ccc1N(CN1CC(N2CCCC2)=O)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C19H22N4O3S/c1-15-6-8-16(9-7-15)23-14-22(13-18(24)21-11-2-3-12-21)27(25,26)17-5-4-10-20-19(17)23/h4-10H,2-3,11-14H2,1H3

InChI Key

LGJINZHQLOIRMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

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

2.506

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-2.55

Polar Surface Area

61.574

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

P585-2057 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P585-2057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2057?
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What is the minimum amount of P585-2057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2057
  • 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 P585-2057 available by request