L925-0443 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

L925-0443 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
L925-0443 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L925-0443
N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

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

L925-0443

Molecular Formula

C22H25N3O4S3 (C22 H25 N3 O4 S3)

Compound Name

N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CSc1cccc(NS(c(cc2)cc(N3)c2SCC(CC(N2CCCC2)=O)C3=O)(=O)=O)c1

InChI

InChI=1S/C22H25N3O4S3/c1-30-17-6-4-5-16(12-17)24-32(28,29)18-7-8-20-19(13-18)23-22(27)15(14-31-20)11-21(26)25-9-2-3-10-25/h4-8,12-13,15,24H,2-3,9-11,14H2,1H3,(H,23,27)/t15-/m1/s1

InChI Key

WPOOSVZNVRHLAG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27487299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.51

Polar Surface Area

82.584

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

L925-0443 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L925-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L925-0443?
Check Price and Availability of L925-0443, 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 L925-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L925-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L925-0443
  • 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 L925-0443 available by request