L087-1418 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3,4,5-trimethoxybenzamide

L087-1418 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3,4,5-trimethoxybenzamide
L087-1418 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-1418
N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3,4,5-trimethoxybenzamide

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

L087-1418

Molecular Formula

C23H23BrN4O4 (C23 H23 BrN4 O4)

Compound Name

N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(E)-N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(N/C(/NCc2cnccc2)=N/c2cccc(Br)c2)=O)cc(OC)c1OC

InChI

InChI=1S/C23H23BrN4O4/c1-30-19-10-16(11-20(31-2)21(19)32-3)22(29)28-23(26-14-15-6-5-9-25-13-15)27-18-8-4-7-17(24)12-18/h4-13H,14H2,1-3H3,(H2,26,27,28,29)

InChI Key

ZRHRHKFFCUMSCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.32

Polar Surface Area

74.347

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L087-1418 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 L087-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-1418?
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What is the minimum amount of L087-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-1418
  • 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 L087-1418 available by request