L088-1498 Screening compound: N-[(E)-N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

L088-1498 Screening compound: N-[(E)-N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-ethoxybenzamide
L088-1498 Screening compound: N-[(E)-N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-1498
N-[(E)-N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

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

L088-1498

Molecular Formula

C22H25N3O5 (C22 H25 N3 O5)

Compound Name

N-[(E)-N'-(2H-1,3-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

IUPAC name

N-[(E)-N'-(2H-13-benzodioxol-5-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(N/C(/NCC1OCCC1)=N/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C22H25N3O5/c1-2-27-17-8-5-15(6-9-17)21(26)25-22(23-13-18-4-3-11-28-18)24-16-7-10-19-20(12-16)30-14-29-19/h5-10,12,18H,2-4,11,13-14H2,1H3,(H2,23,24,25,26)/t18-/m1/s1

InChI Key

RNLLNCMKAUWDMB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27231203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.39

Polar Surface Area

74.745

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

L088-1498 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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

References: we are preparing a list of scientific research reports with L088-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-1498?
Check Price and Availability of L088-1498, 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 L088-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-1498
  • 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 L088-1498 available by request