L086-0125 Screening compound: N-[(E)-N'-(5-chloro-2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

L086-0125 Screening compound: N-[(E)-N'-(5-chloro-2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-methylbenzamide
L086-0125 Screening compound: N-[(E)-N'-(5-chloro-2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L086-0125
N-[(E)-N'-(5-chloro-2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

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

L086-0125

Molecular Formula

C22H21ClN4O (C22 H21 ClN4 O)

Compound Name

N-[(E)-N'-(5-chloro-2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

IUPAC name

N-[(E)-N'-(5-chloro-2-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N/C(/NCc1ncccc1)=N/c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C22H21ClN4O/c1-15-6-9-17(10-7-15)21(28)27-22(25-14-19-5-3-4-12-24-19)26-20-13-18(23)11-8-16(20)2/h3-13H,14H2,1-2H3,(H2,25,26,27,28)

InChI Key

OBQZVJWAIFWHST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.54

Polar Surface Area

50.697

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L086-0125 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 L086-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L086-0125?
Check Price and Availability of L086-0125, 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 L086-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L086-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L086-0125
  • 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 L086-0125 available by request