P563-1063 Screening compound: 7-fluoro-N~4~-(2-fluorobenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide

P563-1063 Screening compound: 7-fluoro-N~4~-(2-fluorobenzyl)-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
P563-1063 Screening compound: 7-fluoro-N~4~-(2-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 P563-1063
7-fluoro-N~4~-(2-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

P563-1063

Molecular Formula

C19H16F2N2O3S (C19 H16 F2 N2 O3 S)

Compound Name

7-fluoro-N~4~-(2-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-[(2-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(cccc1)c1F

InChI

InChI=1S/C19H16F2N2O3S/c20-13-7-8-15-17(10-13)27(25,26)18(16-6-3-9-23(15)16)19(24)22-11-12-4-1-2-5-14(12)21/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,24)

InChI Key

HPXGKILQSHCBDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604447

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

2.962

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.56

Polar Surface Area

56.426

Acid Dissociation Constant (pKa)

10.97

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 P563-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P563-1063?
Check Price and Availability of P563-1063, 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 P563-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P563-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P563-1063
  • 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 P563-1063 available by request