3647-5019 Screening compound: 2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-1,2,3,4-tetrahydroquinazolin-4-one

3647-5019 Screening compound: 2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-1,2,3,4-tetrahydroquinazolin-4-one
3647-5019 Screening compound: 2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-5019
2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-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

3647-5019

Molecular Formula

C29H28N2O4 (C29 H28 N2 O4)

Compound Name

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

IUPAC name

2-{3-[(23-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-1234-tetrahydroquinazolin-4-one

SMILES

Cc1cccc(OCc(cc(C(Nc2c3cccc2)N(Cc2ccco2)C3=O)cc2)c2OC)c1C

InChI

InChI=1S/C29H28N2O4/c1-19-8-6-12-26(20(19)2)35-18-22-16-21(13-14-27(22)33-3)28-30-25-11-5-4-10-24(25)29(32)31(28)17-23-9-7-15-34-23/h4-16,28,30H,17-18H2,1-3H3/t28-/m0/s1

InChI Key

JUBSMTJXWGXTTB-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02216754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

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

6.045

Distribution Coefficient, logD

6.045

Water Solubility, LogSw

-5.59

Polar Surface Area

50.036

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 3647-5019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-5019?
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What is the minimum amount of 3647-5019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-5019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-5019
  • 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 3647-5019 available by request