3118-0074 Screening compound: 2-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

3118-0074 Screening compound: 2-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
3118-0074 Screening compound: 2-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0074
2-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-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

3118-0074

Molecular Formula

C29H25FN2O4 (C29 H25 FN2 O4)

Compound Name

2-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1234-tetrahydroquinazolin-4-one

SMILES

COc(cc1)ccc1N(C(c(cc1)cc(COc(cccc2)c2F)c1OC)Nc1c2cccc1)C2=O

InChI

InChI=1S/C29H25FN2O4/c1-34-22-14-12-21(13-15-22)32-28(31-25-9-5-3-7-23(25)29(32)33)19-11-16-26(35-2)20(17-19)18-36-27-10-6-4-8-24(27)30/h3-17,28,31H,18H2,1-2H3/t28-/m0/s1

InChI Key

UODHGCATDREVSD-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01876813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.58

Polar Surface Area

49.220

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

3118-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 3118-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0074?
Check Price and Availability of 3118-0074, 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 3118-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0074
  • 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 3118-0074 available by request