3647-4911 Screening compound: 2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

3647-4911 Screening compound: 2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
3647-4911 Screening compound: 2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-4911
2-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}-3-(4-methylphenyl)-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

3647-4911

Molecular Formula

C28H25N3O3 (C28 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H25N3O3/c1-19-10-13-22(14-11-19)31-27(30-24-8-4-3-7-23(24)28(31)32)20-12-15-25(33-2)21(17-20)18-34-26-9-5-6-16-29-26/h3-17,27,30H,18H2,1-2H3/t27-/m0/s1

InChI Key

QUGITMYVDVMJSP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02217629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

5.421

Water Solubility, LogSw

-5.40

Polar Surface Area

50.538

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3647-4911 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 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 3647-4911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-4911?
Check Price and Availability of 3647-4911, 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 3647-4911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-4911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-4911
  • 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 3647-4911 available by request