M786-4194 Screening compound: 7-chloro-1-isopentyl-3-(morpholinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

M786-4194 Screening compound: 7-chloro-1-isopentyl-3-(morpholinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
M786-4194 Screening compound: 7-chloro-1-isopentyl-3-(morpholinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-4194
7-chloro-1-isopentyl-3-(morpholinocarbonyl)-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

M786-4194

Molecular Formula

C17H22ClN3O4S (C17 H22 ClN3 O4 S)

Compound Name

7-chloro-1-isopentyl-3-(morpholinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

IUPAC name

7-chloro-1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-1H-4lambda612-benzothiadiazine-44-dione

SMILES

CC(C)CCN(c1c2ccc(Cl)c1)N=C(C(N1CCOCC1)=O)S2(=O)=O

InChI

InChI=1S/C17H22ClN3O4S/c1-12(2)5-6-21-14-11-13(18)3-4-15(14)26(23,24)16(19-21)17(22)20-7-9-25-10-8-20/h3-4,11-12H,5-10H2,1-2H3

InChI Key

GLPSBNXHOGWRDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

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

2.321

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-3.07

Polar Surface Area

68.496

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with M786-4194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-4194?
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What is the minimum amount of M786-4194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-4194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-4194
  • 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 M786-4194 available by request