L086-0562 Screening compound: N-[(E)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-(trifluoromethyl)benzamide

L086-0562 Screening compound: N-[(E)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-(trifluoromethyl)benzamide
L086-0562 Screening compound: N-[(E)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L086-0562
N-[(E)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-(trifluoromethyl)benzamide

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

L086-0562

Molecular Formula

C22H19F3N4O (C22 H19 F3 N4 O)

Compound Name

N-[(E)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-[(E)-N'-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl]-4-(trifluoromethyl)benzamide

SMILES

Cc1cccc(/N=C(\NCc2ncccc2)/NC(c2ccc(C(F)(F)F)cc2)=O)c1

InChI

InChI=1S/C22H19F3N4O/c1-15-5-4-7-18(13-15)28-21(27-14-19-6-2-3-12-26-19)29-20(30)16-8-10-17(11-9-16)22(23,24)25/h2-13H,14H2,1H3,(H2,27,28,29,30)

InChI Key

GCRPOOQBLRQMSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-4.34

Polar Surface Area

51.394

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L086-0562 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 L086-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L086-0562?
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What is the minimum amount of L086-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L086-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L086-0562
  • 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 L086-0562 available by request