K261-2750 Screening compound: 4-benzyl-3-[(3-methylbenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-2750 Screening compound: 4-benzyl-3-[(3-methylbenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-2750 Screening compound: 4-benzyl-3-[(3-methylbenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2750
4-benzyl-3-[(3-methylbenzyl)sulfanyl]-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

K261-2750

Molecular Formula

C22H20N2O2S2 (C22 H20 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CSC(N(Cc2ccccc2)c2c3cccc2)=NS3(=O)=O)c1

InChI

InChI=1S/C22H20N2O2S2/c1-17-8-7-11-19(14-17)16-27-22-23-28(25,26)21-13-6-5-12-20(21)24(22)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3

InChI Key

YUVXDBHOBWVHPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.461

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.46

Polar Surface Area

43.713

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K261-2750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2750?
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What is the minimum amount of K261-2750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2750
  • 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 K261-2750 available by request