8009-4483 Screening compound: 6-(2,4-dimethylbenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine

8009-4483 Screening compound: 6-(2,4-dimethylbenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine
8009-4483 Screening compound: 6-(2,4-dimethylbenzoyl)-7,8-bis(propane-1-sulfonyl)pyrrolo[1,2-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4483
6-(2,4-dimethylbenzoyl)-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

8009-4483

Molecular Formula

C22H26N2O5S2 (C22 H26 N2 O5 S2)

Compound Name

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

IUPAC name

6-(24-dimethylbenzoyl)-78-bis(propane-1-sulfonyl)pyrrolo[12-a]pyrazine

SMILES

CCCS(c1c(cncc2)n2c(C(c2c(C)cc(C)cc2)=O)c1S(CCC)(=O)=O)(=O)=O

InChI

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

InChI Key

UGSIINJSWYSWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572287

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-2.99

Polar Surface Area

79.754

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8009-4483 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Nervous system
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-4483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4483?
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What is the minimum amount of 8009-4483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4483
  • 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 8009-4483 available by request