L087-1035 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide

L087-1035 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide
L087-1035 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-1035
N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide

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

L087-1035

Molecular Formula

C22H19ClFN5O2 (C22 H19 ClFN5 O2)

Compound Name

N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide

IUPAC name

N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide

SMILES

CC(Nc1cccc(C(N/C(/NCc2cnccc2)=N/c(cc2)cc(Cl)c2F)=O)c1)=O

InChI

InChI=1S/C22H19ClFN5O2/c1-14(30)27-17-6-2-5-16(10-17)21(31)29-22(26-13-15-4-3-9-25-12-15)28-18-7-8-20(24)19(23)11-18/h2-12H,13H2,1H3,(H,27,30)(H2,26,28,29,31)

InChI Key

PMCXKFFEDWFRQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.88

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

2.891

Distribution Coefficient, logD

2.877

Water Solubility, LogSw

-3.58

Polar Surface Area

74.631

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L087-1035 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 L087-1035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-1035?
Check Price and Availability of L087-1035, 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 L087-1035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-1035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-1035
  • 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 L087-1035 available by request