L087-1206 Screening compound: N-[(E)-N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-methylbenzamide

L087-1206 Screening compound: N-[(E)-N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-methylbenzamide
L087-1206 Screening compound: N-[(E)-N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-1206
N-[(E)-N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-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

L087-1206

Molecular Formula

C21H19FN4O (C21 H19 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(N/C(/NCc2cnccc2)=N/c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C21H19FN4O/c1-15-4-2-6-17(12-15)20(27)26-21(24-14-16-5-3-11-23-13-16)25-19-9-7-18(22)8-10-19/h2-13H,14H2,1H3,(H2,24,25,26,27)

InChI Key

PFGJJVSOIQZWEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-2.98

Polar Surface Area

51.369

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L087-1206 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 L087-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-1206?
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What is the minimum amount of L087-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-1206
  • 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 L087-1206 available by request