M183-0816 Screening compound: 2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide

M183-0816 Screening compound: 2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
M183-0816 Screening compound: 2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M183-0816
2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-(3-chloro-4-fluorophenyl)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

M183-0816

Molecular Formula

C22H22ClFN4O2 (C22 H22 ClFN4 O2)

Compound Name

2-[4-(azepan-1-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide

IUPAC name

2-[4-(azepan-1-yl)-1-oxo-12-dihydrophthalazin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)N=C2N1CCCCCC1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C22H22ClFN4O2/c23-18-13-15(9-10-19(18)24)25-20(29)14-28-22(30)17-8-4-3-7-16(17)21(26-28)27-11-5-1-2-6-12-27/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,25,29)

InChI Key

XEKPTXOBARQCSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.335

Water Solubility, LogSw

-4.55

Polar Surface Area

53.717

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M183-0816 in Drug Discovery

Included in Screening Libraries

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 M183-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M183-0816?
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What is the minimum amount of M183-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M183-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M183-0816
  • 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 M183-0816 available by request