L261-0449 Screening compound: (E)-N'-[(2,4-dimethoxyphenyl)methyl]-N''-methanesulfonyl-N-(2-methoxyphenyl)guanidine

L261-0449 Screening compound: (E)-N'-[(2,4-dimethoxyphenyl)methyl]-N''-methanesulfonyl-N-(2-methoxyphenyl)guanidine
L261-0449 Screening compound: (E)-N'-[(2,4-dimethoxyphenyl)methyl]-N''-methanesulfonyl-N-(2-methoxyphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L261-0449
(E)-N'-[(2,4-dimethoxyphenyl)methyl]-N''-methanesulfonyl-N-(2-methoxyphenyl)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

L261-0449

Molecular Formula

C18H23N3O5S (C18 H23 N3 O5 S)

Compound Name

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

IUPAC name

(E)-N'-[(24-dimethoxyphenyl)methyl]-N''-methanesulfonyl-N-(2-methoxyphenyl)guanidine

SMILES

COc1cc(OC)c(CN/C(/Nc(cccc2)c2OC)=N\S(C)(=O)=O)cc1

InChI

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

InChI Key

YQEFSZCVUSBOCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121300

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

2.617

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-3.15

Polar Surface Area

82.477

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L261-0449 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L261-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L261-0449?
Check Price and Availability of L261-0449, 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 L261-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L261-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L261-0449
  • 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 L261-0449 available by request