C046-0377 Screening compound: ethyl 2-{3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamido}benzoate

C046-0377 Screening compound: ethyl 2-{3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamido}benzoate
C046-0377 Screening compound: ethyl 2-{3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0377
ethyl 2-{3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamido}benzoate

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

C046-0377

Molecular Formula

C22H22N4O5 (C22 H22 N4 O5)

Compound Name

ethyl 2-{3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamido}benzoate

IUPAC name

ethyl 2-{3-[2-(4-oxo-34-dihydroquinazolin-3-yl)acetamido]propanamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CCNC(CN(C=Nc1c2cccc1)C2=O)=O)=O)=O

InChI

InChI=1S/C22H22N4O5/c1-2-31-22(30)16-8-4-6-10-18(16)25-19(27)11-12-23-20(28)13-26-14-24-17-9-5-3-7-15(17)21(26)29/h3-10,14H,2,11-13H2,1H3,(H,23,28)(H,25,27)

InChI Key

GUQSYJWVPVYAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.811

Distribution Coefficient, logD

0.780

Water Solubility, LogSw

-2.47

Polar Surface Area

93.857

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C046-0377 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C046-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C046-0377?
Check Price and Availability of C046-0377, 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 C046-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0377
  • 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 C046-0377 available by request