3003-0836 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-1H-1,3-benzodiazole

3003-0836 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-1H-1,3-benzodiazole
3003-0836 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3003-0836
1-(3,4-dimethylbenzenesulfonyl)-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

3003-0836

Molecular Formula

C15H14N2O2S (C15 H14 N2 O2 S)

Compound Name

1-(3,4-dimethylbenzenesulfonyl)-1H-1,3-benzodiazole

IUPAC name

1-(34-dimethylbenzenesulfonyl)-1H-13-benzodiazole

SMILES

Cc(cc1)c(C)cc1S(n1c(cccc2)c2nc1)(=O)=O

InChI

InChI=1S/C15H14N2O2S/c1-11-7-8-13(9-12(11)2)20(18,19)17-10-16-14-5-3-4-6-15(14)17/h3-10H,1-2H3

InChI Key

FNWKGMIQODACKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.67

Polar Surface Area

37.684

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3003-0836 in Drug Discovery

Included in Screening Libraries

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 3003-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3003-0836?
Check Price and Availability of 3003-0836, 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 3003-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3003-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3003-0836
  • 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 3003-0836 available by request