8009-4485 Screening compound: 6-(4-fluorobenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine

8009-4485 Screening compound: 6-(4-fluorobenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine
8009-4485 Screening compound: 6-(4-fluorobenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4485
6-(4-fluorobenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine

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

8009-4485

Molecular Formula

C20H21FN2O5S2 (C20 H21 FN2 O5 S2)

Compound Name

6-(4-fluorobenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine

IUPAC name

6-(4-fluorobenzoyl)-78-bis(propane-1-sulfonyl)pyrrolo[12-a]pyrazine

SMILES

CCCS(c1c(cncc2)n2c(C(c(cc2)ccc2F)=O)c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C20H21FN2O5S2/c1-3-11-29(25,26)19-16-13-22-9-10-23(16)17(20(19)30(27,28)12-4-2)18(24)14-5-7-15(21)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3

InChI Key

VXWFFSHBXYWOKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-2.06

Polar Surface Area

79.754

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8009-4485 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-4485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4485?
Check Price and Availability of 8009-4485, 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 8009-4485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4485
  • 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 8009-4485 available by request