3118-0386 Screening compound: 3-(naphthalen-1-yl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

3118-0386 Screening compound: 3-(naphthalen-1-yl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
3118-0386 Screening compound: 3-(naphthalen-1-yl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0386
3-(naphthalen-1-yl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

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

3118-0386

Molecular Formula

C27H24N2O4 (C27 H24 N2 O4)

Compound Name

3-(naphthalen-1-yl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-(naphthalen-1-yl)-2-(345-trimethoxyphenyl)-1234-tetrahydroquinazolin-4-one

SMILES

COc1cc(C(Nc2c3cccc2)N(c2cccc4ccccc24)C3=O)cc(OC)c1OC

InChI

InChI=1S/C27H24N2O4/c1-31-23-15-18(16-24(32-2)25(23)33-3)26-28-21-13-7-6-12-20(21)27(30)29(26)22-14-8-10-17-9-4-5-11-19(17)22/h4-16,26,28H,1-3H3/t26-/m0/s1

InChI Key

OVJVOLLFZASNGD-SANMLTNESA-N

MDL Number (MFCD)

MFCD02641669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

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

5.289

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-6.40

Polar Surface Area

49.137

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

3118-0386 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3118-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0386?
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What is the minimum amount of 3118-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0386
  • 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 3118-0386 available by request