L088-0502 Screening compound: ethyl 4-[(E)-{[(4-fluorophenyl)formamido]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoate

L088-0502 Screening compound: ethyl 4-[(E)-{[(4-fluorophenyl)formamido]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoate
L088-0502 Screening compound: ethyl 4-[(E)-{[(4-fluorophenyl)formamido]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-0502
ethyl 4-[(E)-{[(4-fluorophenyl)formamido]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoate

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

L088-0502

Molecular Formula

C22H24FN3O4 (C22 H24 FN3 O4)

Compound Name

ethyl 4-[(E)-{[(4-fluorophenyl)formamido]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoate

IUPAC name

ethyl 4-[(E)-{[(4-fluorophenyl)formamido]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoate

SMILES

CCOC(c(cc1)ccc1/N=C(\NCC1OCCC1)/NC(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H24FN3O4/c1-2-29-21(28)16-7-11-18(12-8-16)25-22(24-14-19-4-3-13-30-19)26-20(27)15-5-9-17(23)10-6-15/h5-12,19H,2-4,13-14H2,1H3,(H2,24,25,26,27)/t19-/m1/s1

InChI Key

NGNQKWPLVMRYCN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27230870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.46

Polar Surface Area

71.259

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

L088-0502 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 L088-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-0502?
Check Price and Availability of L088-0502, 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 L088-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-0502
  • 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 L088-0502 available by request