L088-1296 Screening compound: N-[(E)-N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

L088-1296 Screening compound: N-[(E)-N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-methylbenzamide
L088-1296 Screening compound: N-[(E)-N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-1296
N-[(E)-N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

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

L088-1296

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

N-[(E)-N'-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

IUPAC name

N-[(E)-N'-(34-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N/C(/NCC1OCCC1)=N/c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C22H27N3O4/c1-15-6-8-16(9-7-15)21(26)25-22(23-14-18-5-4-12-29-18)24-17-10-11-19(27-2)20(13-17)28-3/h6-11,13,18H,4-5,12,14H2,1-3H3,(H2,23,24,25,26)/t18-/m1/s1

InChI Key

IPRZWFXQUDIHHL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27231130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.30

Polar Surface Area

65.767

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

L088-1296 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
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 L088-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-1296?
Check Price and Availability of L088-1296, 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 L088-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-1296
  • 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 L088-1296 available by request