M183-0454 Screening compound: methyl 2-{2-[4-(morpholin-4-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamido}benzoate

M183-0454 Screening compound: methyl 2-{2-[4-(morpholin-4-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamido}benzoate
M183-0454 Screening compound: methyl 2-{2-[4-(morpholin-4-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M183-0454
methyl 2-{2-[4-(morpholin-4-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamido}benzoate

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

M183-0454

Molecular Formula

C22H22N4O5 (C22 H22 N4 O5)

Compound Name

methyl 2-{2-[4-(morpholin-4-yl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[4-(morpholin-4-yl)-1-oxo-12-dihydrophthalazin-2-yl]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(CN(C(c1c2cccc1)=O)N=C2N1CCOCC1)=O)=O

InChI

InChI=1S/C22H22N4O5/c1-30-22(29)17-8-4-5-9-18(17)23-19(27)14-26-21(28)16-7-3-2-6-15(16)20(24-26)25-10-12-31-13-11-25/h2-9H,10-14H2,1H3,(H,23,27)

InChI Key

UJYSPAIMNBRNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.679

Distribution Coefficient, logD

1.672

Water Solubility, LogSw

-2.61

Polar Surface Area

81.771

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M183-0454 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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
  • 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 M183-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M183-0454?
Check Price and Availability of M183-0454, 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 M183-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M183-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M183-0454
  • 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 M183-0454 available by request