L086-0566 Screening compound: N-[(Z)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

L086-0566 Screening compound: N-[(Z)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide
L086-0566 Screening compound: N-[(Z)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L086-0566
N-[(Z)-N'-(3-methylphenyl)-N-[(pyridin-2-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

L086-0566

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

N-[(Z)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[(Z)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-2H-13-benzodioxole-5-carboxamide

SMILES

Cc1cccc(/N=C(/NCc2ncccc2)\NC(c(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C22H20N4O3/c1-15-5-4-7-17(11-15)25-22(24-13-18-6-2-3-10-23-18)26-21(27)16-8-9-19-20(12-16)29-14-28-19/h2-12H,13-14H2,1H3,(H2,24,25,26,27)

InChI Key

YEBQKIHNWVMASE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

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

3.533

Distribution Coefficient, logD

2.732

Water Solubility, LogSw

-3.65

Polar Surface Area

68.510

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L086-0566 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 L086-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L086-0566?
Check Price and Availability of L086-0566, 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 L086-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L086-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L086-0566
  • 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 L086-0566 available by request