P563-1005 Screening compound: N~4~-cyclopentyl-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

P563-1005 Screening compound: N~4~-cyclopentyl-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
P563-1005 Screening compound: N~4~-cyclopentyl-7-fluoro-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 P563-1005
N~4~-cyclopentyl-7-fluoro-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

P563-1005

Molecular Formula

C17H19FN2O3S (C17 H19 FN2 O3 S)

Compound Name

N~4~-cyclopentyl-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

IUPAC name

N-cyclopentyl-11-fluoro-88-dioxo-8lambda6-thia-2-azatricyclo[7.4.0.0^{26}]trideca-1(13)6911-tetraene-7-carboxamide

SMILES

O=C(C1=C(CCC2)N2c(ccc(F)c2)c2S1(=O)=O)NC1CCCC1

InChI

InChI=1S/C17H19FN2O3S/c18-11-7-8-13-15(10-11)24(22,23)16(14-6-3-9-20(13)14)17(21)19-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H,19,21)

InChI Key

CVMZWIUGXFRQMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-2.89

Polar Surface Area

56.517

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

P563-1005 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P563-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P563-1005?
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What is the minimum amount of P563-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P563-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P563-1005
  • 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 P563-1005 available by request