L705-0136 Screening compound: N-[(3-methoxyphenyl)methyl]-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide

L705-0136 Screening compound: N-[(3-methoxyphenyl)methyl]-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide
L705-0136 Screening compound: N-[(3-methoxyphenyl)methyl]-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L705-0136
N-[(3-methoxyphenyl)methyl]-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide

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

L705-0136

Molecular Formula

C20H22N2O5S2 (C20 H22 N2 O5 S2)

Compound Name

N-[(3-methoxyphenyl)methyl]-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-3-[(4-oxo-2345-tetrahydro-15-benzothiazepin-7-yl)sulfonyl]propanamide

SMILES

COc1cccc(CNC(CCS(c(cc2)cc(N3)c2SCCC3=O)(=O)=O)=O)c1

InChI

InChI=1S/C20H22N2O5S2/c1-27-15-4-2-3-14(11-15)13-21-19(23)8-10-29(25,26)16-5-6-18-17(12-16)22-20(24)7-9-28-18/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)(H,22,24)

InChI Key

KWMZJXDODLRTIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-2.32

Polar Surface Area

86.170

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L705-0136 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L705-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L705-0136?
Check Price and Availability of L705-0136, 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 L705-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L705-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L705-0136
  • 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 L705-0136 available by request