L261-0544 Screening compound: (E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-[(2-methoxyphenyl)methyl]guanidine

L261-0544 Screening compound: (E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-[(2-methoxyphenyl)methyl]guanidine
L261-0544 Screening compound: (E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-[(2-methoxyphenyl)methyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L261-0544
(E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-[(2-methoxyphenyl)methyl]guanidine

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

L261-0544

Molecular Formula

C18H23N3O5S (C18 H23 N3 O5 S)

Compound Name

(E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-[(2-methoxyphenyl)methyl]guanidine

IUPAC name

(E)-N-(34-dimethoxyphenyl)-N''-methanesulfonyl-N'-[(2-methoxyphenyl)methyl]guanidine

SMILES

COc1c(CN/C(/Nc(cc2)cc(OC)c2OC)=N\S(C)(=O)=O)cccc1

InChI

InChI=1S/C18H23N3O5S/c1-24-15-8-6-5-7-13(15)12-19-18(21-27(4,22)23)20-14-9-10-16(25-2)17(11-14)26-3/h5-11H,12H2,1-4H3,(H2,19,20,21)

InChI Key

HSTJPDHMFFAMEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

2.166

Water Solubility, LogSw

-2.75

Polar Surface Area

83.262

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L261-0544 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 L261-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L261-0544?
Check Price and Availability of L261-0544, 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 L261-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L261-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L261-0544
  • 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 L261-0544 available by request