L086-1362 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-3-methoxybenzamide

L086-1362 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-3-methoxybenzamide
L086-1362 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L086-1362
N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-3-methoxybenzamide

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

L086-1362

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-3-methoxybenzamide

IUPAC name

N-[(E)-N'-(23-dihydro-14-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-3-methoxybenzamide

SMILES

COc1cccc(C(N/C(/NCc2ncccc2)=N/c(cc2)cc3c2OCCO3)=O)c1

InChI

InChI=1S/C23H22N4O4/c1-29-19-7-4-5-16(13-19)22(28)27-23(25-15-18-6-2-3-10-24-18)26-17-8-9-20-21(14-17)31-12-11-30-20/h2-10,13-14H,11-12,15H2,1H3,(H2,25,26,27,28)

InChI Key

IHTUAVPVWGJCFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

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

2.270

Distribution Coefficient, logD

1.226

Water Solubility, LogSw

-3.01

Polar Surface Area

74.761

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L086-1362 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 L086-1362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L086-1362?
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What is the minimum amount of L086-1362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L086-1362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L086-1362
  • 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 L086-1362 available by request