L087-1205 Screening compound: N-(1,3-benzodioxol-5-ylcarbonyl)-N''-(4-fluorophenyl)-N'-(3-pyridylmethyl)guanidine

L087-1205 Screening compound: N-(1,3-benzodioxol-5-ylcarbonyl)-N''-(4-fluorophenyl)-N'-(3-pyridylmethyl)guanidine
L087-1205 Screening compound: N-(1,3-benzodioxol-5-ylcarbonyl)-N''-(4-fluorophenyl)-N'-(3-pyridylmethyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-1205
N-(1,3-benzodioxol-5-ylcarbonyl)-N''-(4-fluorophenyl)-N'-(3-pyridylmethyl)guanidine

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

L087-1205

Molecular Formula

C21H17FN4O3 (C21 H17 FN4 O3)

Compound Name

N-(1,3-benzodioxol-5-ylcarbonyl)-N''-(4-fluorophenyl)-N'-(3-pyridylmethyl)guanidine

IUPAC name

N-[(E)-N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)N/C(/NCc1cnccc1)=N/c(cc1)ccc1F

InChI

InChI=1S/C21H17FN4O3/c22-16-4-6-17(7-5-16)25-21(24-12-14-2-1-9-23-11-14)26-20(27)15-3-8-18-19(10-15)29-13-28-18/h1-11H,12-13H2,(H2,24,25,26,27)

InChI Key

JNYOXJYBCHDZDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.75

Polar Surface Area

68.485

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

L087-1205 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 L087-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-1205?
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What is the minimum amount of L087-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-1205
  • 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 L087-1205 available by request