6665-1203 Screening compound: 1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-2-sulfonic acid

6665-1203 Screening compound: 1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-2-sulfonic acid
6665-1203 Screening compound: 1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-2-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6665-1203
1-[(4-methylphenyl)methyl]-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

6665-1203

Molecular Formula

C15H14N2O3S (C15 H14 N2 O3 S)

Compound Name

1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-2-sulfonic acid

IUPAC name

1-[(4-methylphenyl)methyl]-1H-13-benzodiazole-2-sulfonic acid

SMILES

Cc1ccc(Cn2c(S(O)(=O)=O)nc3c2cccc3)cc1

InChI

InChI=1S/C15H14N2O3S/c1-11-6-8-12(9-7-11)10-17-14-5-3-2-4-13(14)16-15(17)21(18,19)20/h2-9H,10H2,1H3,(H,18,19,20)

InChI Key

QICGMZXBPKUVSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

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

1.391

Distribution Coefficient, logD

-12.400

Water Solubility, LogSw

-2.08

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

13.30

6665-1203 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6665-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6665-1203?
Check Price and Availability of 6665-1203, 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 6665-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6665-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6665-1203
  • 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 6665-1203 available by request