3647-4994 Screening compound: 2-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-[(furan-2-yl)methyl]-1,2,3,4-tetrahydroquinazolin-4-one

3647-4994 Screening compound: 2-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-[(furan-2-yl)methyl]-1,2,3,4-tetrahydroquinazolin-4-one
3647-4994 Screening compound: 2-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-[(furan-2-yl)methyl]-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-4994
2-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-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

3647-4994

Molecular Formula

C28H25ClN2O4 (C28 H25 ClN2 O4)

Compound Name

2-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-[(furan-2-yl)methyl]-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-[(furan-2-yl)methyl]-1234-tetrahydroquinazolin-4-one

SMILES

CCOc(cc(C(Nc1c2cccc1)N(Cc1ccco1)C2=O)cc1)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C28H25ClN2O4/c1-2-33-26-16-19(13-14-25(26)35-18-20-8-3-5-11-23(20)29)27-30-24-12-6-4-10-22(24)28(32)31(27)17-21-9-7-15-34-21/h3-16,27,30H,2,17-18H2,1H3/t27-/m0/s1

InChI Key

MXPOSZAVPDJKHA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01878235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.97

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

5.607

Distribution Coefficient, logD

5.607

Water Solubility, LogSw

-5.89

Polar Surface Area

49.616

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

3647-4994 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3647-4994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-4994?
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What is the minimum amount of 3647-4994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-4994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-4994
  • 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 3647-4994 available by request