2759-0749 Screening compound: 2-tert-butyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-thione

2759-0749 Screening compound: 2-tert-butyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-thione
2759-0749 Screening compound: 2-tert-butyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2759-0749
2-tert-butyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-thione

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

2759-0749

Molecular Formula

C11H14N2S2 (C11 H14 N2 S2)

Compound Name

2-tert-butyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-thione

IUPAC name

2-tert-butyl-34-dihydro-2H-124-benzothiadiazine-3-thione

SMILES

CC(C)(C)N1Sc(cccc2)c2NC1=S

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)

MFCD01175730

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

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.54

Polar Surface Area

15.369

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 2759-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2759-0749?
Check Price and Availability of 2759-0749, 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 2759-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2759-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2759-0749
  • 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 2759-0749 available by request