8018-7842 Screening compound: 6-methyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide

8018-7842 Screening compound: 6-methyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide
8018-7842 Screening compound: 6-methyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7842
6-methyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide

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

8018-7842

Molecular Formula

C8H6N4S2 (C8 H6 N4 S2)

Compound Name

6-methyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide

IUPAC name

10-methyl-4-thia-351012-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)25711-pentaene-11-thiol

SMILES

Cn1c(S)nc2c1ccc1nsnc12

InChI

InChI=1S/C8H6N4S2/c1-12-5-3-2-4-6(11-14-10-4)7(5)9-8(12)13/h2-3H,1H3,(H,9,13)

InChI Key

RODNQQLIFPRLRO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.014

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-2.11

Polar Surface Area

32.027

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-7842 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-7842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7842?
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What is the minimum amount of 8018-7842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7842
  • 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 8018-7842 available by request