L087-0230 Screening compound: N-[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

L087-0230 Screening compound: N-[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide
L087-0230 Screening compound: N-[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-0230
N-[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]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

L087-0230

Molecular Formula

C21H17BrN4O3 (C21 H17 BrN4 O3)

Compound Name

N-[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)N/C(/NCc1cnccc1)=N/c(cc1)ccc1Br

InChI

InChI=1S/C21H17BrN4O3/c22-16-4-6-17(7-5-16)25-21(24-12-14-2-1-9-23-11-14)26-20(27)15-3-8-18-19(10-15)29-13-28-18/h1-11H,12-13H2,(H2,24,25,26,27)

InChI Key

KMZORBMNJWLWFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.34

Polar Surface Area

68.485

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L087-0230 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 L087-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-0230?
Check Price and Availability of L087-0230, 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 L087-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-0230
  • 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 L087-0230 available by request