M786-3348 Screening compound: 7-methyl-1-(2-methylbenzyl)-3-(piperidinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

M786-3348 Screening compound: 7-methyl-1-(2-methylbenzyl)-3-(piperidinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
M786-3348 Screening compound: 7-methyl-1-(2-methylbenzyl)-3-(piperidinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-3348
7-methyl-1-(2-methylbenzyl)-3-(piperidinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-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

M786-3348

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

7-methyl-1-(2-methylbenzyl)-3-(piperidinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

IUPAC name

7-methyl-1-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)-1H-4lambda612-benzothiadiazine-44-dione

SMILES

Cc(cc1)cc(N(Cc2c(C)cccc2)N=C2C(N3CCCCC3)=O)c1S2(=O)=O

InChI

InChI=1S/C22H25N3O3S/c1-16-10-11-20-19(14-16)25(15-18-9-5-4-8-17(18)2)23-21(29(20,27)28)22(26)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3

InChI Key

PWVILYYLLYLBDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22594104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-3.96

Polar Surface Area

60.338

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M786-3348 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M786-3348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-3348?
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What is the minimum amount of M786-3348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-3348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-3348
  • 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 M786-3348 available by request