M786-3024 Screening compound: 1-butyl-3-[(4-methylpiperidino)carbonyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

M786-3024 Screening compound: 1-butyl-3-[(4-methylpiperidino)carbonyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
M786-3024 Screening compound: 1-butyl-3-[(4-methylpiperidino)carbonyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-3024
1-butyl-3-[(4-methylpiperidino)carbonyl]-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

M786-3024

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

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

IUPAC name

1-butyl-3-(4-methylpiperidine-1-carbonyl)-1H-4lambda612-benzothiadiazine-44-dione

SMILES

CCCCN(c1c2cccc1)N=C(C(N1CCC(C)CC1)=O)S2(=O)=O

InChI

InChI=1S/C18H25N3O3S/c1-3-4-11-21-15-7-5-6-8-16(15)25(23,24)17(19-21)18(22)20-12-9-14(2)10-13-20/h5-8,14H,3-4,9-13H2,1-2H3

InChI Key

KWHWCCQWARYKCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.26

Polar Surface Area

60.588

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

M786-3024 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M786-3024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-3024?
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What is the minimum amount of M786-3024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-3024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-3024
  • 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 M786-3024 available by request