L086-1401 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-ethylbenzamide

L086-1401 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-ethylbenzamide
L086-1401 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L086-1401
N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-ethylbenzamide

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

L086-1401

Molecular Formula

C22H21BrN4O (C22 H21 BrN4 O)

Compound Name

N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-ethylbenzamide

IUPAC name

N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-ethylbenzamide

SMILES

CCc(cc1)ccc1C(N/C(/NCc1ncccc1)=N/c1cccc(Br)c1)=O

InChI

InChI=1S/C22H21BrN4O/c1-2-16-9-11-17(12-10-16)21(28)27-22(25-15-20-7-3-4-13-24-20)26-19-8-5-6-18(23)14-19/h3-14H,2,15H2,1H3,(H2,25,26,27,28)

InChI Key

NDYHEQZHGZMAAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.675

Water Solubility, LogSw

-4.54

Polar Surface Area

51.394

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L086-1401 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 L086-1401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L086-1401?
Check Price and Availability of L086-1401, 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 L086-1401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L086-1401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L086-1401
  • 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 L086-1401 available by request