8010-0552 Screening compound: 1-(2-methoxy-5-methylbenzenesulfonyl)-1H-1,3-benzodiazole

8010-0552 Screening compound: 1-(2-methoxy-5-methylbenzenesulfonyl)-1H-1,3-benzodiazole
8010-0552 Screening compound: 1-(2-methoxy-5-methylbenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0552
1-(2-methoxy-5-methylbenzenesulfonyl)-1H-1,3-benzodiazole

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

8010-0552

Molecular Formula

C15H14N2O3S (C15 H14 N2 O3 S)

Compound Name

1-(2-methoxy-5-methylbenzenesulfonyl)-1H-1,3-benzodiazole

IUPAC name

1-(2-methoxy-5-methylbenzenesulfonyl)-1H-13-benzodiazole

SMILES

Cc(cc1)cc(S(n2c(cccc3)c3nc2)(=O)=O)c1OC

InChI

InChI=1S/C15H14N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3

InChI Key

BCZAVYVHCOLHTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01926097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.11

Polar Surface Area

45.314

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8010-0552 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0552?
Check Price and Availability of 8010-0552, 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 8010-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0552
  • 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 8010-0552 available by request