8011-1321 Screening compound: 5-(bromomethyl)-2,1,3-benzothiadiazole

8011-1321 Screening compound: 5-(bromomethyl)-2,1,3-benzothiadiazole
8011-1321 Screening compound: 5-(bromomethyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1321
5-(bromomethyl)-2,1,3-benzothiadiazole

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

8011-1321

Molecular Formula

C7H5BrN2S (C7 H5 BrN2 S)

Compound Name

5-(bromomethyl)-2,1,3-benzothiadiazole

IUPAC name

5-(bromomethyl)-213-benzothiadiazole

SMILES

BrCc1cc2nsnc2cc1

InChI

InChI=1S/C7H5BrN2S/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4H2

InChI Key

JEPACAAYCVWCFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00544836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.1

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-2.94

Polar Surface Area

20.421

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8011-1321 in Drug Discovery

Included in Screening Libraries

Crystallographic and 19F NMR fragment-libraries (624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1321?
Check Price and Availability of 8011-1321, 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 8011-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1321
  • 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 8011-1321 available by request