L088-1045 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide

L088-1045 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide
L088-1045 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-(acetamidomethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-1045
N-[(E)-N'-(3-chloro-4-fluorophenyl)-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

L088-1045

Molecular Formula

C22H24ClFN4O3 (C22 H24 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(NCc(cc1)ccc1C(N/C(/NCC1OCCC1)=N/c(cc1)cc(Cl)c1F)=O)=O

InChI

InChI=1S/C22H24ClFN4O3/c1-14(29)25-12-15-4-6-16(7-5-15)21(30)28-22(26-13-18-3-2-10-31-18)27-17-8-9-20(24)19(23)11-17/h4-9,11,18H,2-3,10,12-13H2,1H3,(H,25,29)(H2,26,27,28,30)/t18-/m1/s1

InChI Key

PMEYPKPPVRLHOX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15118454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.91

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

1.916

Distribution Coefficient, logD

1.912

Water Solubility, LogSw

-3.07

Polar Surface Area

75.090

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

L088-1045 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 L088-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-1045?
Check Price and Availability of L088-1045, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L088-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-1045
  • 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 L088-1045 available by request