P563-1002 Screening compound: N~4~-cyclopropyl-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

P563-1002 Screening compound: N~4~-cyclopropyl-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
P563-1002 Screening compound: N~4~-cyclopropyl-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 P563-1002
N~4~-cyclopropyl-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

P563-1002

Molecular Formula

C15H15FN2O3S (C15 H15 FN2 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(C1=C(CCC2)N2c(ccc(F)c2)c2S1(=O)=O)NC1CC1

InChI

InChI=1S/C15H15FN2O3S/c16-9-3-6-11-13(8-9)22(20,21)14(12-2-1-7-18(11)12)15(19)17-10-4-5-10/h3,6,8,10H,1-2,4-5,7H2,(H,17,19)

InChI Key

WNJSHMLYZDMHSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

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

1.560

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-2.54

Polar Surface Area

56.482

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P563-1002 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 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 P563-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P563-1002?
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What is the minimum amount of P563-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P563-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P563-1002
  • 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 P563-1002 available by request