L089-1300 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

L089-1300 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide
L089-1300 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L089-1300
N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

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

L089-1300

Molecular Formula

C23H26N4O6 (C23 H26 N4 O6)

Compound Name

N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[(E)-N'-(23-dihydro-14-benzodioxin-6-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)N/C(/NCCN1CCOCC1)=N/c(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H26N4O6/c28-22(16-1-3-19-20(13-16)33-15-32-19)26-23(24-5-6-27-7-9-29-10-8-27)25-17-2-4-18-21(14-17)31-12-11-30-18/h1-4,13-14H,5-12,15H2,(H2,24,25,26,28)

InChI Key

RXXPCTTULZYIIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

0.269

Water Solubility, LogSw

-2.17

Polar Surface Area

86.523

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L089-1300 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L089-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L089-1300?
Check Price and Availability of L089-1300, 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 L089-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L089-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L089-1300
  • 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 L089-1300 available by request