M786-3487 Screening compound: 3-{[7-methyl-3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile

M786-3487 Screening compound: 3-{[7-methyl-3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
M786-3487 Screening compound: 3-{[7-methyl-3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-3487
3-{[7-methyl-3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile

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

M786-3487

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

3-{[7-methyl-3-(morpholinocarbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile

IUPAC name

3-{[7-methyl-3-(morpholine-4-carbonyl)-44-dioxo-1H-4lambda612-benzothiadiazin-1-yl]methyl}benzonitrile

SMILES

Cc(cc1)cc(N(Cc2cc(C#N)ccc2)N=C2C(N3CCOCC3)=O)c1S2(=O)=O

InChI

InChI=1S/C21H20N4O4S/c1-15-5-6-19-18(11-15)25(14-17-4-2-3-16(12-17)13-22)23-20(30(19,27)28)21(26)24-7-9-29-10-8-24/h2-6,11-12H,7-10,14H2,1H3

InChI Key

KTGUYKRBZOFIMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

1.646

Water Solubility, LogSw

-2.30

Polar Surface Area

85.302

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with M786-3487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-3487?
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What is the minimum amount of M786-3487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-3487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-3487
  • 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 M786-3487 available by request