8008-7079 Screening compound: 2-(tert-butyl)-2H-1,2,4-benzothiadiazin-3-ylhydrosulfide

8008-7079 Screening compound: 2-(tert-butyl)-2H-1,2,4-benzothiadiazin-3-ylhydrosulfide
8008-7079 Screening compound: 2-(tert-butyl)-2H-1,2,4-benzothiadiazin-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7079
2-(tert-butyl)-2H-1,2,4-benzothiadiazin-3-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

8008-7079

Molecular Formula

C11H14N2S2 (C11 H14 N2 S2)

Compound Name

2-(tert-butyl)-2H-1,2,4-benzothiadiazin-3-ylhydrosulfide

IUPAC name

n/a

SMILES

CC(C)(C)N1Sc(cccc2)c2N=C1S

InChI

InChI=1S/C11H14N2S2/c1-11(2,3)13-10(14)12-8-6-4-5-7-9(8)15-13/h4-7H,1-3H3,(H,12,14)

InChI Key

BKHJLCGPCZERSM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

-0.641

Water Solubility, LogSw

-3.12

Polar Surface Area

13.600

Acid Dissociation Constant (pKa)

3.68

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

References: we are preparing a list of scientific research reports with 8008-7079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7079?
Check Price and Availability of 8008-7079, 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 8008-7079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7079
  • 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 8008-7079 available by request