L087-0395 Screening compound: N-[(E)-N'-(3-chloro-2-methylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide

L087-0395 Screening compound: N-[(E)-N'-(3-chloro-2-methylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide
L087-0395 Screening compound: N-[(E)-N'-(3-chloro-2-methylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-0395
N-[(E)-N'-(3-chloro-2-methylphenyl)-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

L087-0395

Molecular Formula

C23H22ClN5O2 (C23 H22 ClN5 O2)

Compound Name

N-[(E)-N'-(3-chloro-2-methylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide

IUPAC name

N-[(E)-N'-(3-chloro-2-methylphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamidobenzamide

SMILES

CC(Nc1cccc(C(N/C(/NCc2cnccc2)=N/c2cccc(Cl)c2C)=O)c1)=O

InChI

InChI=1S/C23H22ClN5O2/c1-15-20(24)9-4-10-21(15)28-23(26-14-17-6-5-11-25-13-17)29-22(31)18-7-3-8-19(12-18)27-16(2)30/h3-13H,14H2,1-2H3,(H,27,30)(H2,26,28,29,31)

InChI Key

RFEAVBZCPUUIFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.91

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

3.229

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.61

Polar Surface Area

73.933

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

L087-0395 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 L087-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-0395?
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What is the minimum amount of L087-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-0395
  • 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 L087-0395 available by request