C201-1353 Screening compound: ethyl 1-(3-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazin-1-yl)piperidine-3-carboxylate

C201-1353 Screening compound: ethyl 1-(3-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazin-1-yl)piperidine-3-carboxylate
C201-1353 Screening compound: ethyl 1-(3-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazin-1-yl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1353
ethyl 1-(3-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazin-1-yl)piperidine-3-carboxylate

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

C201-1353

Molecular Formula

C25H28N4O5 (C25 H28 N4 O5)

Compound Name

ethyl 1-(3-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazin-1-yl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(3-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-34-dihydrophthalazin-1-yl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c2cccc1)=NN(CC(Nc(cc1)ccc1OC)=O)C2=O)=O

InChI

InChI=1S/C25H28N4O5/c1-3-34-25(32)17-7-6-14-28(15-17)23-20-8-4-5-9-21(20)24(31)29(27-23)16-22(30)26-18-10-12-19(33-2)13-11-18/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,26,30)/t17-/m0/s1

InChI Key

TZZALMVBJHATSJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14729686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.44

Polar Surface Area

81.617

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

C201-1353 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C201-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1353?
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What is the minimum amount of C201-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1353
  • 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 C201-1353 available by request