M613-1173 Screening compound: 2-(2-chlorophenyl)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one

M613-1173 Screening compound: 2-(2-chlorophenyl)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one
M613-1173 Screening compound: 2-(2-chlorophenyl)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M613-1173
2-(2-chlorophenyl)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one

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

M613-1173

Molecular Formula

C22H22ClFN4O2 (C22 H22 ClFN4 O2)

Compound Name

2-(2-chlorophenyl)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one

IUPAC name

2-(2-chlorophenyl)-1-(4-{[3-(3-fluorophenyl)-124-oxadiazol-5-yl]methyl}-14-diazepan-1-yl)ethan-1-one

SMILES

O=C(Cc(cccc1)c1Cl)N1CCN(Cc2nc(-c3cc(F)ccc3)no2)CCC1

InChI

InChI=1S/C22H22ClFN4O2/c23-19-8-2-1-5-16(19)14-21(29)28-10-4-9-27(11-12-28)15-20-25-22(26-30-20)17-6-3-7-18(24)13-17/h1-3,5-8,13H,4,9-12,14-15H2

InChI Key

RUCQKLZOHDQDSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.281

Distribution Coefficient, logD

4.280

Water Solubility, LogSw

-4.42

Polar Surface Area

51.574

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M613-1173 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M613-1173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M613-1173?
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What is the minimum amount of M613-1173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M613-1173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M613-1173
  • 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 M613-1173 available by request