3647-5105 Screening compound: 2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one

3647-5105 Screening compound: 2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one
3647-5105 Screening compound: 2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-5105
2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-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

3647-5105

Molecular Formula

C27H30N2O3 (C27 H30 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(c(cc1)cc(COc2c(C)c(C)ccc2)c1OC)Nc1c2cccc1)C2=O

InChI

InChI=1S/C27H30N2O3/c1-5-15-29-26(28-23-11-7-6-10-22(23)27(29)30)20-13-14-25(31-4)21(16-20)17-32-24-12-8-9-18(2)19(24)3/h6-14,16,26,28H,5,15,17H2,1-4H3/t26-/m0/s1

InChI Key

YUTLANBDBUVLAO-SANMLTNESA-N

MDL Number (MFCD)

MFCD03057270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.915

Distribution Coefficient, logD

5.915

Water Solubility, LogSw

-5.61

Polar Surface Area

42.538

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

3647-5105 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3647-5105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-5105?
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What is the minimum amount of 3647-5105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-5105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-5105
  • 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 3647-5105 available by request