L088-1418 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide

L088-1418 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide
L088-1418 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-1418
N-[(E)-N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)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

L088-1418

Molecular Formula

C22H25BrN4O3 (C22 H25 BrN4 O3)

Compound Name

N-[(E)-N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide

IUPAC name

N-[(E)-N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide

SMILES

CC(NCc(cc1)ccc1C(N/C(/NCC1OCCC1)=N/c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C22H25BrN4O3/c1-15(28)24-13-16-7-9-17(10-8-16)21(29)27-22(25-14-20-6-3-11-30-20)26-19-5-2-4-18(23)12-19/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,24,28)(H2,25,26,27,29)/t20-/m1/s1

InChI Key

FHKUCZAEOSRWQN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15118459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.115

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.85

Polar Surface Area

75.090

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

L088-1418 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 L088-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-1418?
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What is the minimum amount of L088-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-1418
  • 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 L088-1418 available by request