3118-0363 Screening compound: 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione

3118-0363 Screening compound: 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
3118-0363 Screening compound: 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0363
2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione

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

3118-0363

Molecular Formula

C34H25N3O4 (C34 H25 N3 O4)

Compound Name

2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1234-tetrahydroquinazolin-2-yl]phenyl}methyl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc1c(CN(C(c2c3cccc2)=O)C3=O)cc(C(Nc2c3cccc2)N(c2cccc4ccccc24)C3=O)cc1

InChI

InChI=1S/C34H25N3O4/c1-41-30-18-17-22(19-23(30)20-36-32(38)25-12-4-5-13-26(25)33(36)39)31-35-28-15-7-6-14-27(28)34(40)37(31)29-16-8-10-21-9-2-3-11-24(21)29/h2-19,31,35H,20H2,1H3/t31-/m0/s1

InChI Key

PQCJIWCFFVAGFM-HKBQPEDESA-N

MDL Number (MFCD)

MFCD02086255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.250

Distribution Coefficient, logD

6.250

Water Solubility, LogSw

-6.67

Polar Surface Area

63.042

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.80

3118-0363 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3118-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0363?
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What is the minimum amount of 3118-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0363
  • 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 3118-0363 available by request