M183-0826 Screening compound: 2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

M183-0826 Screening compound: 2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
M183-0826 Screening compound: 2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M183-0826
2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

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

M183-0826

Molecular Formula

C23H23F3N4O2 (C23 H23 F3 N4 O2)

Compound Name

2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[4-(azepan-1-yl)-1-oxo-12-dihydrophthalazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)N=C2N1CCCCCC1)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C23H23F3N4O2/c24-23(25,26)16-9-11-17(12-10-16)27-20(31)15-30-22(32)19-8-4-3-7-18(19)21(28-30)29-13-5-1-2-6-14-29/h3-4,7-12H,1-2,5-6,13-15H2,(H,27,31)

InChI Key

NYQMEKHOGPRSBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.30

Polar Surface Area

53.717

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

M183-0826 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M183-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M183-0826?
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What is the minimum amount of M183-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M183-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M183-0826
  • 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 M183-0826 available by request