1718-0081 Screening compound: 1-(4-iodo-2-methylbenzenesulfonyl)-1H-1,3-benzodiazole

1718-0081 Screening compound: 1-(4-iodo-2-methylbenzenesulfonyl)-1H-1,3-benzodiazole
1718-0081 Screening compound: 1-(4-iodo-2-methylbenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1718-0081
1-(4-iodo-2-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

1718-0081

Molecular Formula

C14H11IN2O2S (C14 H11 IN2 O2 S)

Compound Name

1-(4-iodo-2-methylbenzenesulfonyl)-1H-1,3-benzodiazole

IUPAC name

1-(4-iodo-2-methylbenzenesulfonyl)-1H-13-benzodiazole

SMILES

Cc(cc(cc1)I)c1S(n1c(cccc2)c2nc1)(=O)=O

InChI

InChI=1S/C14H11IN2O2S/c1-10-8-11(15)6-7-14(10)20(18,19)17-9-16-12-4-2-3-5-13(12)17/h2-9H,1H3

InChI Key

WBHBOCOPGHUSIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.22

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

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.38

Polar Surface Area

37.684

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1718-0081 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 1718-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1718-0081?
Check Price and Availability of 1718-0081, 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 1718-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1718-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1718-0081
  • 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 1718-0081 available by request