M786-3145 Screening compound: [3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl cyanide

M786-3145 Screening compound: [3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl cyanide
M786-3145 Screening compound: [3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-3145
[3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl cyanide

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

M786-3145

Molecular Formula

C14H14N4O4S (C14 H14 N4 O4 S)

Compound Name

[3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl cyanide

IUPAC name

2-[3-(morpholine-4-carbonyl)-44-dioxo-1H-4lambda612-benzothiadiazin-1-yl]acetonitrile

SMILES

N#CCN(c1c2cccc1)N=C(C(N1CCOCC1)=O)S2(=O)=O

InChI

InChI=1S/C14H14N4O4S/c15-5-6-18-11-3-1-2-4-12(11)23(20,21)13(16-18)14(19)17-7-9-22-10-8-17/h1-4H,6-10H2

InChI Key

IWRNMLOFLSFMIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.525

Distribution Coefficient, logD

-0.525

Water Solubility, LogSw

-1.85

Polar Surface Area

85.988

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

M786-3145 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M786-3145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-3145?
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What is the minimum amount of M786-3145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-3145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-3145
  • 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 M786-3145 available by request