L088-0729 Screening compound: 3-fluoro-N-[(E)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]benzamide

L088-0729 Screening compound: 3-fluoro-N-[(E)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]benzamide
L088-0729 Screening compound: 3-fluoro-N-[(E)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-0729
3-fluoro-N-[(E)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]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

L088-0729

Molecular Formula

C20H22FN3O3 (C20 H22 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1/N=C(\NCC1OCCC1)/NC(c1cccc(F)c1)=O

InChI

InChI=1S/C20H22FN3O3/c1-26-17-9-7-16(8-10-17)23-20(22-13-18-6-3-11-27-18)24-19(25)14-4-2-5-15(21)12-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H2,22,23,24,25)/t18-/m1/s1

InChI Key

QRDIBVWGYBOURD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27230947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.48

Polar Surface Area

58.049

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

L088-0729 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 L088-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-0729?
Check Price and Availability of L088-0729, 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 L088-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-0729
  • 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 L088-0729 available by request