3647-5104 Screening compound: 2-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one

3647-5104 Screening compound: 2-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one
3647-5104 Screening compound: 2-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-5104
2-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}-3-propyl-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

3647-5104

Molecular Formula

C26H28N2O4 (C26 H28 N2 O4)

Compound Name

2-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}-3-propyl-1234-tetrahydroquinazolin-4-one

SMILES

CCCN(C(c(cc1)cc(COc2cc(OC)ccc2)c1OC)Nc1c2cccc1)C2=O

InChI

InChI=1S/C26H28N2O4/c1-4-14-28-25(27-23-11-6-5-10-22(23)26(28)29)18-12-13-24(31-3)19(15-18)17-32-21-9-7-8-20(16-21)30-2/h5-13,15-16,25,27H,4,14,17H2,1-3H3/t25-/m0/s1

InChI Key

DYILXTIHIFNPAX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02217506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-4.89

Polar Surface Area

49.995

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

3647-5104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3647-5104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-5104?
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What is the minimum amount of 3647-5104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-5104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-5104
  • 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 3647-5104 available by request