5847-0330 Screening compound: ethyl 4-[(4-methoxyphenyl)amino]quinazoline-2-carboxylate

5847-0330 Screening compound: ethyl 4-[(4-methoxyphenyl)amino]quinazoline-2-carboxylate
5847-0330 Screening compound: ethyl 4-[(4-methoxyphenyl)amino]quinazoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0330
ethyl 4-[(4-methoxyphenyl)amino]quinazoline-2-carboxylate

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

5847-0330

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

ethyl 4-[(4-methoxyphenyl)amino]quinazoline-2-carboxylate

IUPAC name

ethyl 4-[(4-methoxyphenyl)amino]quinazoline-2-carboxylate

SMILES

CCOC(c1nc2ccccc2c(Nc(cc2)ccc2OC)n1)=O

InChI

InChI=1S/C18H17N3O3/c1-3-24-18(22)17-20-15-7-5-4-6-14(15)16(21-17)19-12-8-10-13(23-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,20,21)

InChI Key

GSFBLAPKUOMYIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02956226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.09

Polar Surface Area

56.374

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5847-0330 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5847-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0330?
Check Price and Availability of 5847-0330, 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 5847-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0330
  • 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 5847-0330 available by request