K261-2491 Screening compound: 3-[(3-bromobenzyl)sulfanyl]-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-2491 Screening compound: 3-[(3-bromobenzyl)sulfanyl]-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-2491 Screening compound: 3-[(3-bromobenzyl)sulfanyl]-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2491
3-[(3-bromobenzyl)sulfanyl]-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

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

K261-2491

Molecular Formula

C18H19BrN2O2S2 (C18 H19 BrN2 O2 S2)

Compound Name

3-[(3-bromobenzyl)sulfanyl]-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

3-{[(3-bromophenyl)methyl]sulfanyl}-4-butyl-4H-1lambda624-benzothiadiazine-11-dione

SMILES

CCCCN(c1c2cccc1)C(SCc1cccc(Br)c1)=NS2(=O)=O

InChI

InChI=1S/C18H19BrN2O2S2/c1-2-3-11-21-16-9-4-5-10-17(16)25(22,23)20-18(21)24-13-14-7-6-8-15(19)12-14/h4-10,12H,2-3,11,13H2,1H3

InChI Key

XJRHFGLMMXZQLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-4.99

Polar Surface Area

43.963

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with K261-2491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2491?
Check Price and Availability of K261-2491, 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 K261-2491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2491
  • 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 K261-2491 available by request