L086-1072 Screening compound: 3-acetamido-N-[(E)-N'-(3-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]benzamide

L086-1072 Screening compound: 3-acetamido-N-[(E)-N'-(3-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]benzamide
L086-1072 Screening compound: 3-acetamido-N-[(E)-N'-(3-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L086-1072
3-acetamido-N-[(E)-N'-(3-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]benzamide

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

L086-1072

Molecular Formula

C22H20FN5O2 (C22 H20 FN5 O2)

Compound Name

3-acetamido-N-[(E)-N'-(3-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]benzamide

IUPAC name

3-acetamido-N-[(E)-N'-(3-fluorophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]benzamide

SMILES

CC(Nc1cccc(C(N/C(/NCc2ncccc2)=N/c2cccc(F)c2)=O)c1)=O

InChI

InChI=1S/C22H20FN5O2/c1-15(29)26-18-9-4-6-16(12-18)21(30)28-22(25-14-20-8-2-3-11-24-20)27-19-10-5-7-17(23)13-19/h2-13H,14H2,1H3,(H,26,29)(H2,25,27,28,30)

InChI Key

WTOXBBWTXHNNJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-3.12

Polar Surface Area

74.656

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L086-1072 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 L086-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L086-1072?
Check Price and Availability of L086-1072, 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 L086-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L086-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L086-1072
  • 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 L086-1072 available by request