L087-0913 Screening compound: N-[(E)-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-methylbenzamide

L087-0913 Screening compound: N-[(E)-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-methylbenzamide
L087-0913 Screening compound: N-[(E)-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-0913
N-[(E)-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-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

L087-0913

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

N-[(E)-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-methylbenzamide

IUPAC name

N-[(E)-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N/C(/NCc1cnccc1)=N/c(cc1)cc(Cl)c1OC)=O

InChI

InChI=1S/C22H21ClN4O2/c1-15-5-7-17(8-6-15)21(28)27-22(25-14-16-4-3-11-24-13-16)26-18-9-10-20(29-2)19(23)12-18/h3-13H,14H2,1-2H3,(H2,25,26,27,28)

InChI Key

IBAMNLBRSFHXMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.97

Polar Surface Area

59.000

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L087-0913 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 L087-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-0913?
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What is the minimum amount of L087-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-0913
  • 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 L087-0913 available by request