L261-0602 Screening compound: (E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine

L261-0602 Screening compound: (E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine
L261-0602 Screening compound: (E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L261-0602
(E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-{[4-(methylsulfanyl)phenyl]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

L261-0602

Molecular Formula

C18H23N3O4S2 (C18 H23 N3 O4 S2)

Compound Name

(E)-N-(3,4-dimethoxyphenyl)-N''-methanesulfonyl-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine

IUPAC name

(E)-N-(34-dimethoxyphenyl)-N''-methanesulfonyl-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine

SMILES

COc(ccc(N/C(/NCc(cc1)ccc1SC)=N/S(C)(=O)=O)c1)c1OC

InChI

InChI=1S/C18H23N3O4S2/c1-24-16-10-7-14(11-17(16)25-2)20-18(21-27(4,22)23)19-12-13-5-8-15(26-3)9-6-13/h5-11H,12H2,1-4H3,(H2,19,20,21)

InChI Key

VAKLKLXGNYHJFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-3.18

Polar Surface Area

75.631

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L261-0602 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 L261-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L261-0602?
Check Price and Availability of L261-0602, 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 L261-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L261-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L261-0602
  • 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 L261-0602 available by request