M786-3445 Screening compound: 3-{[3-(1-azepanylcarbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile

M786-3445 Screening compound: 3-{[3-(1-azepanylcarbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
M786-3445 Screening compound: 3-{[3-(1-azepanylcarbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-3445
3-{[3-(1-azepanylcarbonyl)-7-methyl-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

M786-3445

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(N(Cc2cc(C#N)ccc2)N=C2C(N3CCCCCC3)=O)c1S2(=O)=O

InChI

InChI=1S/C23H24N4O3S/c1-17-9-10-21-20(13-17)27(16-19-8-6-7-18(14-19)15-24)25-22(31(21,29)30)23(28)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12,16H2,1H3

InChI Key

RADHUYDTQSUDPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22594115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.63

Polar Surface Area

77.725

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with M786-3445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-3445?
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What is the minimum amount of M786-3445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-3445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-3445
  • 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 M786-3445 available by request