6653-3802 Screening compound: 4-nitro-7-(trifluoromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole

6653-3802 Screening compound: 4-nitro-7-(trifluoromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole
6653-3802 Screening compound: 4-nitro-7-(trifluoromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6653-3802
4-nitro-7-(trifluoromethyl)-8H-imidazo[4,5-e][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

6653-3802

Molecular Formula

C8H2F3N5O2S (C8 H2 F3 N5 O2 S)

Compound Name

4-nitro-7-(trifluoromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole

IUPAC name

7-nitro-11-(trifluoromethyl)-4-thia-351012-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)25710-pentaene

SMILES

[O-][N+](c(c1nsnc11)cc2c1[nH]c(C(F)(F)F)n2)=O

InChI

InChI=1S/C8H2F3N5O2S/c9-8(10,11)7-12-2-1-3(16(17)18)5-6(4(2)13-7)15-19-14-5/h1H,(H,12,13)

InChI Key

OOBCABYRIUZSIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

0.636

Water Solubility, LogSw

-2.58

Polar Surface Area

75.104

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6653-3802 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6653-3802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6653-3802?
Check Price and Availability of 6653-3802, 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 6653-3802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6653-3802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6653-3802
  • 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 6653-3802 available by request