M786-4527 Screening compound: 6-chloro-1-(3-methoxybenzyl)-3-(morpholinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

M786-4527 Screening compound: 6-chloro-1-(3-methoxybenzyl)-3-(morpholinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
M786-4527 Screening compound: 6-chloro-1-(3-methoxybenzyl)-3-(morpholinocarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-4527
6-chloro-1-(3-methoxybenzyl)-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

M786-4527

Molecular Formula

C20H20ClN3O5S (C20 H20 ClN3 O5 S)

Compound Name

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

IUPAC name

6-chloro-1-[(3-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)-1H-4lambda612-benzothiadiazine-44-dione

SMILES

COc1cccc(CN(c(cc2)c3cc2Cl)N=C(C(N2CCOCC2)=O)S3(=O)=O)c1

InChI

InChI=1S/C20H20ClN3O5S/c1-28-16-4-2-3-14(11-16)13-24-17-6-5-15(21)12-18(17)30(26,27)19(22-24)20(25)23-7-9-29-10-8-23/h2-6,11-12H,7-10,13H2,1H3

InChI Key

OAPOVSZMOGVURO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.91

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

2.198

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-3.01

Polar Surface Area

75.790

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with M786-4527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-4527?
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What is the minimum amount of M786-4527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-4527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-4527
  • 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 M786-4527 available by request