L051-0136 Screening compound: 2-(3-methoxybenzyl)-5-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione

L051-0136 Screening compound: 2-(3-methoxybenzyl)-5-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
L051-0136 Screening compound: 2-(3-methoxybenzyl)-5-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound L051-0136
2-(3-methoxybenzyl)-5-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione

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

L051-0136

Molecular Formula

C24H21F3N2O4S (C24 H21 F3 N2 O4 S)

Compound Name

2-(3-methoxybenzyl)-5-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione

IUPAC name

2-[(3-methoxyphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-1lambda625-benzothiadiazepine-114-trione

SMILES

COc1cccc(CN(CC(N(Cc2cc(C(F)(F)F)ccc2)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C24H21F3N2O4S/c1-33-20-9-5-7-18(13-20)14-28-16-23(30)29(21-10-2-3-11-22(21)34(28,31)32)15-17-6-4-8-19(12-17)24(25,26)27/h2-13H,14-16H2,1H3

InChI Key

WXPRWYDNZDLLOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.40

Polar Surface Area

54.816

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

-6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

L051-0136 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L051-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L051-0136?
Check Price and Availability of L051-0136, 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 L051-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L051-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L051-0136
  • 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 L051-0136 available by request