M786-3053 Screening compound: 1-(3,5-difluorobenzyl)-3-[(4-methylpiperidino)carbonyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

M786-3053 Screening compound: 1-(3,5-difluorobenzyl)-3-[(4-methylpiperidino)carbonyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
M786-3053 Screening compound: 1-(3,5-difluorobenzyl)-3-[(4-methylpiperidino)carbonyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-3053
1-(3,5-difluorobenzyl)-3-[(4-methylpiperidino)carbonyl]-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

M786-3053

Molecular Formula

C21H21F2N3O3S (C21 H21 F2 N3 O3 S)

Compound Name

1-(3,5-difluorobenzyl)-3-[(4-methylpiperidino)carbonyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione

IUPAC name

1-[(35-difluorophenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)-1H-4lambda612-benzothiadiazine-44-dione

SMILES

CC(CC1)CCN1C(C1=NN(Cc2cc(F)cc(F)c2)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C21H21F2N3O3S/c1-14-6-8-25(9-7-14)21(27)20-24-26(13-15-10-16(22)12-17(23)11-15)18-4-2-3-5-19(18)30(20,28)29/h2-5,10-12,14H,6-9,13H2,1H3

InChI Key

CXSVYITYQSDASO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.357

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.83

Polar Surface Area

60.338

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M786-3053 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M786-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-3053?
Check Price and Availability of M786-3053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M786-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-3053
  • 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 M786-3053 available by request