M336-1055 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide

M336-1055 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide
M336-1055 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M336-1055
N-[2-(azepan-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide

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

M336-1055

Molecular Formula

C22H25FN4O3S (C22 H25 FN4 O3 S)

Compound Name

N-[2-(azepan-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]benzene-1-sulfonamide

SMILES

O=S(c(cccc1)c1-c1nc(-c(cc2)ccc2F)no1)(NCCN1CCCCCC1)=O

InChI

InChI=1S/C22H25FN4O3S/c23-18-11-9-17(10-12-18)21-25-22(30-26-21)19-7-3-4-8-20(19)31(28,29)24-13-16-27-14-5-1-2-6-15-27/h3-4,7-12,24H,1-2,5-6,13-16H2

InChI Key

LXYJBVMMXVKSSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.36

Polar Surface Area

77.558

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M336-1055 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M336-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M336-1055?
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What is the minimum amount of M336-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M336-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M336-1055
  • 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 M336-1055 available by request