P563-1066 Screening compound: 7-fluoro-N~4~-(4-fluorobenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

P563-1066 Screening compound: 7-fluoro-N~4~-(4-fluorobenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
P563-1066 Screening compound: 7-fluoro-N~4~-(4-fluorobenzyl)-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 P563-1066
7-fluoro-N~4~-(4-fluorobenzyl)-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

P563-1066

Molecular Formula

C19H16F2N2O3S (C19 H16 F2 N2 O3 S)

Compound Name

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

IUPAC name

11-fluoro-N-[(4-fluorophenyl)methyl]-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)NCc(cc1)ccc1F

InChI

InChI=1S/C19H16F2N2O3S/c20-13-5-3-12(4-6-13)11-22-19(24)18-16-2-1-9-23(16)15-8-7-14(21)10-17(15)27(18,25)26/h3-8,10H,1-2,9,11H2,(H,22,24)

InChI Key

ZDNDTRFJWYMOHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-3.11

Polar Surface Area

56.426

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with P563-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P563-1066?
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What is the minimum amount of P563-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P563-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P563-1066
  • 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 P563-1066 available by request