L051-0104 Screening compound: 2-(3-bromobenzyl)-5-(3-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione

L051-0104 Screening compound: 2-(3-bromobenzyl)-5-(3-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
L051-0104 Screening compound: 2-(3-bromobenzyl)-5-(3-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound L051-0104
2-(3-bromobenzyl)-5-(3-fluorobenzyl)-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

L051-0104

Molecular Formula

C22H18BrFN2O3S (C22 H18 BrFN2 O3 S)

Compound Name

2-(3-bromobenzyl)-5-(3-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione

IUPAC name

2-[(3-bromophenyl)methyl]-5-[(3-fluorophenyl)methyl]-2345-tetrahydro-1lambda625-benzothiadiazepine-114-trione

SMILES

O=C(CN1Cc2cccc(Br)c2)N(Cc2cc(F)ccc2)c(cccc2)c2S1(=O)=O

InChI

InChI=1S/C22H18BrFN2O3S/c23-18-7-3-5-16(11-18)13-25-15-22(27)26(14-17-6-4-8-19(24)12-17)20-9-1-2-10-21(20)30(25,28)29/h1-12H,13-15H2

InChI Key

ZEWRUFDSCTZNNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.38

Polar Surface Area

47.273

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

-7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L051-0104 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)

Targeted Diversity Library (40567 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 L051-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L051-0104?
Check Price and Availability of L051-0104, 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 L051-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L051-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L051-0104
  • 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 L051-0104 available by request