8009-4484 Screening compound: 6-(4-ethylbenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine

8009-4484 Screening compound: 6-(4-ethylbenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine
8009-4484 Screening compound: 6-(4-ethylbenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4484
6-(4-ethylbenzoyl)-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

8009-4484

Molecular Formula

C22H26N2O5S2 (C22 H26 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCS(c1c(cncc2)n2c(C(c2ccc(CC)cc2)=O)c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C22H26N2O5S2/c1-4-13-30(26,27)21-18-15-23-11-12-24(18)19(22(21)31(28,29)14-5-2)20(25)17-9-7-16(6-3)8-10-17/h7-12,15H,4-6,13-14H2,1-3H3

InChI Key

CEZAYKUSKBBLRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.882

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.03

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

36.40

8009-4484 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8009-4484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4484?
Check Price and Availability of 8009-4484, 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 8009-4484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4484
  • 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 8009-4484 available by request