3118-0063 Screening compound: 2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

3118-0063 Screening compound: 2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
3118-0063 Screening compound: 2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0063
2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-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

3118-0063

Molecular Formula

C28H25N3O4 (C28 H25 N3 O4)

Compound Name

2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methoxyphenyl)-1234-tetrahydroquinazolin-4-one

SMILES

COc(cc1)ccc1N(C(c(cc1)cc(COc2ncccc2)c1OC)Nc1c2cccc1)C2=O

InChI

InChI=1S/C28H25N3O4/c1-33-22-13-11-21(12-14-22)31-27(30-24-8-4-3-7-23(24)28(31)32)19-10-15-25(34-2)20(17-19)18-35-26-9-5-6-16-29-26/h3-17,27,30H,18H2,1-2H3/t27-/m0/s1

InChI Key

FAYBFUQTMGBOTD-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02233514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-4.64

Polar Surface Area

58.082

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3118-0063 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3118-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0063?
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What is the minimum amount of 3118-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0063
  • 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 3118-0063 available by request