L087-1412 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

L087-1412 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-ethoxybenzamide
L087-1412 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-1412
N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

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

L087-1412

Molecular Formula

C22H21BrN4O2 (C22 H21 BrN4 O2)

Compound Name

N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

IUPAC name

N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(N/C(/NCc1cnccc1)=N/c1cccc(Br)c1)=O

InChI

InChI=1S/C22H21BrN4O2/c1-2-29-20-10-8-17(9-11-20)21(28)27-22(25-15-16-5-4-12-24-14-16)26-19-7-3-6-18(23)13-19/h3-14H,2,15H2,1H3,(H2,25,26,27,28)

InChI Key

SLXSJPDULBDTMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.69

Polar Surface Area

58.493

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L087-1412 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 L087-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-1412?
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What is the minimum amount of L087-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-1412
  • 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 L087-1412 available by request