4491-0864 Screening compound: methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate

4491-0864 Screening compound: methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate
4491-0864 Screening compound: methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0864
methyl 3-[(2-phenylquinazolin-4-yl)amino]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

4491-0864

Molecular Formula

C22H17N3O2 (C22 H17 N3 O2)

Compound Name

methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate

IUPAC name

methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate

SMILES

COC(c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1)=O

InChI

InChI=1S/C22H17N3O2/c1-27-22(26)16-10-7-11-17(14-16)23-21-18-12-5-6-13-19(18)24-20(25-21)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24,25)

InChI Key

VOKBJUGRXJLLDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02943312

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

355.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.187

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.93

Polar Surface Area

48.979

Acid Dissociation Constant (pKa)

18.71

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4491-0864 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 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)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4491-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0864?
Check Price and Availability of 4491-0864, 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 4491-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0864
  • 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 4491-0864 available by request