Y080-1839 Screening compound: 1-ethyl-1H-1,3-benzimidazole-2-sulfonic acid

Y080-1839 Screening compound: 1-ethyl-1H-1,3-benzimidazole-2-sulfonic acid
Y080-1839 Screening compound: 1-ethyl-1H-1,3-benzimidazole-2-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1839
1-ethyl-1H-1,3-benzimidazole-2-sulfonic acid

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

Y080-1839

Molecular Formula

C9H10N2O3S (C9 H10 N2 O3 S)

Compound Name

1-ethyl-1H-1,3-benzimidazole-2-sulfonic acid

IUPAC name

1-ethyl-1H-13-benzodiazole-2-sulfonic acid

SMILES

CCn1c(S(O)(=O)=O)nc2c1cccc2

InChI

InChI=1S/C9H10N2O3S/c1-2-11-8-6-4-3-5-7(8)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,12,13,14)

InChI Key

CPFYRNMZRZTXRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.196

Distribution Coefficient, logD

-13.987

Water Solubility, LogSw

-1.78

Polar Surface Area

53.531

Acid Dissociation Constant (pKa)

-3.34

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y080-1839 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y080-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1839?
Check Price and Availability of Y080-1839, 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 Y080-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1839
  • 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 Y080-1839 available by request