L088-0548 Screening compound: methyl 4-{[(E)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate

L088-0548 Screening compound: methyl 4-{[(E)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate
L088-0548 Screening compound: methyl 4-{[(E)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-0548
methyl 4-{[(E)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}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

L088-0548

Molecular Formula

C22H25N3O4 (C22 H25 N3 O4)

Compound Name

methyl 4-{[(E)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate

IUPAC name

methyl 4-{[(E)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate

SMILES

Cc(cc1)ccc1/N=C(\NCC1OCCC1)/NC(c(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C22H25N3O4/c1-15-5-11-18(12-6-15)24-22(23-14-19-4-3-13-29-19)25-20(26)16-7-9-17(10-8-16)21(27)28-2/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,24,25,26)/t19-/m1/s1

InChI Key

RVMVWIHRFGDAOB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27230887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-3.39

Polar Surface Area

71.680

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

L088-0548 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 L088-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-0548?
Check Price and Availability of L088-0548, 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 L088-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-0548
  • 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 L088-0548 available by request