L089-1362 Screening compound: N-[(E)-N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

L089-1362 Screening compound: N-[(E)-N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide
L089-1362 Screening compound: N-[(E)-N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L089-1362
N-[(E)-N'-(4-chloro-2-methylphenyl)-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

L089-1362

Molecular Formula

C22H25ClN4O4 (C22 H25 ClN4 O4)

Compound Name

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

IUPAC name

N-[(E)-N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl]-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc(cc1)Cl)c1/N=C(\NCCN1CCOCC1)/NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C22H25ClN4O4/c1-15-12-17(23)3-4-18(15)25-22(24-6-7-27-8-10-29-11-9-27)26-21(28)16-2-5-19-20(13-16)31-14-30-19/h2-5,12-13H,6-11,14H2,1H3,(H2,24,25,26,28)

InChI Key

XFDQSPNRRWDQFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-4.06

Polar Surface Area

70.002

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L089-1362 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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 L089-1362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L089-1362?
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What is the minimum amount of L089-1362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L089-1362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L089-1362
  • 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 L089-1362 available by request