4778-0013 Screening compound: methyl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-4,5-dimethoxybenzoate

4778-0013 Screening compound: methyl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-4,5-dimethoxybenzoate
4778-0013 Screening compound: methyl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-4,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4778-0013
methyl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-4,5-dimethoxybenzoate

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

4778-0013

Molecular Formula

C20H20N2O7 (C20 H20 N2 O7)

Compound Name

methyl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-4,5-dimethoxybenzoate

IUPAC name

methyl 2-(67-dimethoxy-4-oxo-34-dihydroquinazolin-3-yl)-45-dimethoxybenzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1N(C=Nc(cc1OC)c2cc1OC)C2=O)=O

InChI

InChI=1S/C20H20N2O7/c1-25-15-6-11-13(8-17(15)27-3)21-10-22(19(11)23)14-9-18(28-4)16(26-2)7-12(14)20(24)29-5/h6-10H,1-5H3

InChI Key

PFKKMUZFGISJDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03032694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.971

Distribution Coefficient, logD

1.971

Water Solubility, LogSw

-2.14

Polar Surface Area

77.288

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4778-0013 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4778-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4778-0013?
Check Price and Availability of 4778-0013, 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 4778-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4778-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4778-0013
  • 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 4778-0013 available by request