P563-1488 Screening compound: N~4~-(2-methoxybenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

P563-1488 Screening compound: N~4~-(2-methoxybenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
P563-1488 Screening compound: N~4~-(2-methoxybenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P563-1488
N~4~-(2-methoxybenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

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

P563-1488

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

N~4~-(2-methoxybenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-88-dioxo-8lambda6-thia-2-azatricyclo[7.4.0.0^{26}]trideca-1(13)6911-tetraene-7-carboxamide

SMILES

COc1c(CNC(C2=C(CCC3)N3c(cccc3)c3S2(=O)=O)=O)cccc1

InChI

InChI=1S/C20H20N2O4S/c1-26-17-10-4-2-7-14(17)13-21-20(23)19-16-9-6-12-22(16)15-8-3-5-11-18(15)27(19,24)25/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,21,23)

InChI Key

LBNKAWHYIGRBCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.78

Polar Surface Area

64.056

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P563-1488 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P563-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P563-1488?
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What is the minimum amount of P563-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P563-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P563-1488
  • 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 P563-1488 available by request