4359-0545 Screening compound: 2-(methylsulfanyl)-1-(2-nitrobenzoyl)-1H-imidazole

4359-0545 Screening compound: 2-(methylsulfanyl)-1-(2-nitrobenzoyl)-1H-imidazole
4359-0545 Screening compound: 2-(methylsulfanyl)-1-(2-nitrobenzoyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4359-0545
2-(methylsulfanyl)-1-(2-nitrobenzoyl)-1H-imidazole

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

4359-0545

Molecular Formula

C11H9N3O3S (C11 H9 N3 O3 S)

Compound Name

2-(methylsulfanyl)-1-(2-nitrobenzoyl)-1H-imidazole

IUPAC name

2-(methylsulfanyl)-1-(2-nitrobenzoyl)-1H-imidazole

SMILES

CSc1nccn1C(c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C11H9N3O3S/c1-18-11-12-6-7-13(11)10(15)8-4-2-3-5-9(8)14(16)17/h2-7H,1H3

InChI Key

CQAPYACLBNEAAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02853261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.396

Distribution Coefficient, logD

1.396

Water Solubility, LogSw

-2.19

Polar Surface Area

59.065

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4359-0545 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4359-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4359-0545?
Check Price and Availability of 4359-0545, 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 4359-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4359-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4359-0545
  • 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 4359-0545 available by request