K261-3092 Screening compound: 3-(4-bromophenyl)-2-(2-methylbenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

K261-3092 Screening compound: 3-(4-bromophenyl)-2-(2-methylbenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
K261-3092 Screening compound: 3-(4-bromophenyl)-2-(2-methylbenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-3092
3-(4-bromophenyl)-2-(2-methylbenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-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

K261-3092

Molecular Formula

C21H19BrN2O2S (C21 H19 BrN2 O2 S)

Compound Name

3-(4-bromophenyl)-2-(2-methylbenzyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-(4-bromophenyl)-2-[(2-methylphenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

Cc1c(CN(C(c(cc2)ccc2Br)Nc2c3cccc2)S3(=O)=O)cccc1

InChI

InChI=1S/C21H19BrN2O2S/c1-15-6-2-3-7-17(15)14-24-21(16-10-12-18(22)13-11-16)23-19-8-4-5-9-20(19)27(24,25)26/h2-13,21,23H,14H2,1H3/t21-/m0/s1

InChI Key

RHYXUTBXIBYFJB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15085270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.705

Distribution Coefficient, logD

5.705

Water Solubility, LogSw

-5.63

Polar Surface Area

43.035

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with K261-3092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3092?
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What is the minimum amount of K261-3092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3092
  • 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 K261-3092 available by request