L261-0137 Screening compound: (E)-N''-methanesulfonyl-N-(4-methoxyphenyl)-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine

L261-0137 Screening compound: (E)-N''-methanesulfonyl-N-(4-methoxyphenyl)-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine
L261-0137 Screening compound: (E)-N''-methanesulfonyl-N-(4-methoxyphenyl)-N'-{[4-(methylsulfanyl)phenyl]methyl}guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L261-0137
(E)-N''-methanesulfonyl-N-(4-methoxyphenyl)-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

L261-0137

Molecular Formula

C17H21N3O3S2 (C17 H21 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N/C(/NCc(cc1)ccc1SC)=N/S(C)(=O)=O

InChI

InChI=1S/C17H21N3O3S2/c1-23-15-8-6-14(7-9-15)19-17(20-25(3,21)22)18-12-13-4-10-16(24-2)11-5-13/h4-11H,12H2,1-3H3,(H2,18,19,20)

InChI Key

GYKCPIHGBOGSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.56

Polar Surface Area

67.914

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

L261-0137 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 L261-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L261-0137?
Check Price and Availability of L261-0137, 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 L261-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L261-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L261-0137
  • 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 L261-0137 available by request