L261-0613 Screening compound: (E)-N'-[(3-bromophenyl)methyl]-N-(3,4-dimethoxyphenyl)-N''-methanesulfonylguanidine

L261-0613 Screening compound: (E)-N'-[(3-bromophenyl)methyl]-N-(3,4-dimethoxyphenyl)-N''-methanesulfonylguanidine
L261-0613 Screening compound: (E)-N'-[(3-bromophenyl)methyl]-N-(3,4-dimethoxyphenyl)-N''-methanesulfonylguanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L261-0613
(E)-N'-[(3-bromophenyl)methyl]-N-(3,4-dimethoxyphenyl)-N''-methanesulfonylguanidine

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

L261-0613

Molecular Formula

C17H20BrN3O4S (C17 H20 BrN3 O4 S)

Compound Name

(E)-N'-[(3-bromophenyl)methyl]-N-(3,4-dimethoxyphenyl)-N''-methanesulfonylguanidine

IUPAC name

(E)-N'-[(3-bromophenyl)methyl]-N-(34-dimethoxyphenyl)-N''-methanesulfonylguanidine

SMILES

COc(ccc(N/C(/NCc1cccc(Br)c1)=N/S(C)(=O)=O)c1)c1OC

InChI

InChI=1S/C17H20BrN3O4S/c1-24-15-8-7-14(10-16(15)25-2)20-17(21-26(3,22)23)19-11-12-5-4-6-13(18)9-12/h4-10H,11H2,1-3H3,(H2,19,20,21)

InChI Key

JNIOWZMDQJFUMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.13

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

23.50

L261-0613 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 L261-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L261-0613?
Check Price and Availability of L261-0613, 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 L261-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L261-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L261-0613
  • 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 L261-0613 available by request