3136-1435 Screening compound: 1-(4-methoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole

3136-1435 Screening compound: 1-(4-methoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
3136-1435 Screening compound: 1-(4-methoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3136-1435
1-(4-methoxybenzenesulfonyl)-5,6-dimethyl-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

3136-1435

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

1-(4-methoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole

IUPAC name

1-(4-methoxybenzenesulfonyl)-56-dimethyl-1H-13-benzodiazole

SMILES

Cc(c(C)c1)cc2c1ncn2S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C16H16N2O3S/c1-11-8-15-16(9-12(11)2)18(10-17-15)22(19,20)14-6-4-13(21-3)5-7-14/h4-10H,1-3H3

InChI Key

XHSHENTWTOWZHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02007101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

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

3.569

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-3.79

Polar Surface Area

45.228

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3136-1435 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3136-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3136-1435?
Check Price and Availability of 3136-1435, 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 3136-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3136-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3136-1435
  • 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 3136-1435 available by request