C201-1342 Screening compound: 5-benzyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione

C201-1342 Screening compound: 5-benzyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
C201-1342 Screening compound: 5-benzyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1342
5-benzyl-2-[4-(2-oxo-1-pyrrolidinyl)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

C201-1342

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

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

IUPAC name

5-benzyl-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2345-tetrahydro-1lambda625-benzothiadiazepine-114-trione

SMILES

O=C(CCC1)N1c1ccc(CN(CC(N(Cc2ccccc2)c2c3cccc2)=O)S3(=O)=O)cc1

InChI

InChI=1S/C26H25N3O4S/c30-25-11-6-16-28(25)22-14-12-21(13-15-22)17-27-19-26(31)29(18-20-7-2-1-3-8-20)23-9-4-5-10-24(23)34(27,32)33/h1-5,7-10,12-15H,6,11,16-19H2

InChI Key

YDOQZXBSPZNBPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.71

Polar Surface Area

64.089

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C201-1342 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C201-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1342?
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What is the minimum amount of C201-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1342
  • 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 C201-1342 available by request