M613-1249 Screening compound: 2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone

M613-1249 Screening compound: 2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone
M613-1249 Screening compound: 2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M613-1249
2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone

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

M613-1249

Molecular Formula

C22H22ClFN4O3 (C22 H22 ClFN4 O3)

Compound Name

2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone

IUPAC name

n/a

SMILES

O=C(COc(cc1)ccc1Cl)N1CCN(Cc2nc(-c3cc(F)ccc3)no2)CCC1

InChI

InChI=1S/C22H22ClFN4O3/c23-17-5-7-19(8-6-17)30-15-21(29)28-10-2-9-27(11-12-28)14-20-25-22(26-31-20)16-3-1-4-18(24)13-16/h1,3-8,13H,2,9-12,14-15H2

InChI Key

GBCQWXJOCVGIKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.20

Polar Surface Area

59.073

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M613-1249 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M613-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M613-1249?
Check Price and Availability of M613-1249, 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 M613-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M613-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M613-1249
  • 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 M613-1249 available by request