P563-0030 Screening compound: 4-[(4-phenylpiperazino)carbonyl]-2,3-dihydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-5,5(1H)-dione

P563-0030 Screening compound: 4-[(4-phenylpiperazino)carbonyl]-2,3-dihydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-5,5(1H)-dione
P563-0030 Screening compound: 4-[(4-phenylpiperazino)carbonyl]-2,3-dihydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-5,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P563-0030
4-[(4-phenylpiperazino)carbonyl]-2,3-dihydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-5,5(1H)-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

P563-0030

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

4-[(4-phenylpiperazino)carbonyl]-2,3-dihydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-5,5(1H)-dione

IUPAC name

7-(4-phenylpiperazine-1-carbonyl)-8lambda6-thia-2-azatricyclo[7.4.0.0^{26}]trideca-1(13)6911-tetraene-88-dione

SMILES

O=C(C1=C(CCC2)N2c(cccc2)c2S1(=O)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C22H23N3O3S/c26-22(24-15-13-23(14-16-24)17-7-2-1-3-8-17)21-19-10-6-12-25(19)18-9-4-5-11-20(18)29(21,27)28/h1-5,7-9,11H,6,10,12-16H2

InChI Key

JOPAMYAXSXUBOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-2.58

Polar Surface Area

51.921

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

P563-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P563-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P563-0030?
Check Price and Availability of P563-0030, 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 P563-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P563-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P563-0030
  • 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 P563-0030 available by request