4789-4100 Screening compound: N-(6-BROMO-4-QUINAZOLINYL)-N-(2-ETHOXYPHENYL)AMINE

4789-4100 Screening compound: N-(6-BROMO-4-QUINAZOLINYL)-N-(2-ETHOXYPHENYL)AMINE
4789-4100 Screening compound: N-(6-BROMO-4-QUINAZOLINYL)-N-(2-ETHOXYPHENYL)AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4100
N-(6-BROMO-4-QUINAZOLINYL)-N-(2-ETHOXYPHENYL)AMINE

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

4789-4100

Molecular Formula

C16H14BrN3O (C16 H14 BrN3 O)

Compound Name

N-(6-BROMO-4-QUINAZOLINYL)-N-(2-ETHOXYPHENYL)AMINE

IUPAC name

n/a

SMILES

CCOc(cccc1)c1Nc1c(cc(cc2)Br)c2ncn1

InChI

InChI=1S/C16H14BrN3O/c1-2-21-15-6-4-3-5-14(15)20-16-12-9-11(17)7-8-13(12)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20)

InChI Key

VWLSZPJZTQLOJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.61

Polar Surface Area

35.828

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

4789-4100 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Protein Kinases Inhibitors Library (36801 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4789-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4100?
Check Price and Availability of 4789-4100, 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 4789-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4100
  • 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 4789-4100 available by request