8019-7098 Screening compound: 1-benzyl-1H-1,3-benzodiazole-2-sulfonic acid

8019-7098 Screening compound: 1-benzyl-1H-1,3-benzodiazole-2-sulfonic acid
8019-7098 Screening compound: 1-benzyl-1H-1,3-benzodiazole-2-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7098
1-benzyl-1H-1,3-benzodiazole-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

8019-7098

Molecular Formula

C14H12N2O3S (C14 H12 N2 O3 S)

Compound Name

1-benzyl-1H-1,3-benzodiazole-2-sulfonic acid

IUPAC name

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

SMILES

OS(c1nc(cccc2)c2n1Cc1ccccc1)(=O)=O

InChI

InChI=1S/C14H12N2O3S/c17-20(18,19)14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)

InChI Key

HGYLMBSADYHHGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.968

Distribution Coefficient, logD

-12.823

Water Solubility, LogSw

-1.96

Polar Surface Area

53.534

Acid Dissociation Constant (pKa)

-3.34

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8019-7098 in Drug Discovery

Included in Screening Libraries

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 8019-7098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7098?
Check Price and Availability of 8019-7098, 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 8019-7098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7098
  • 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 8019-7098 available by request