3993-3556 Screening compound: propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate

3993-3556 Screening compound: propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate
3993-3556 Screening compound: propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-3556
propyl 3-{[2-(pyridin-3-yl)quinazolin-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

3993-3556

Molecular Formula

C23H20N4O2 (C23 H20 N4 O2)

Compound Name

propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate

IUPAC name

propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate

SMILES

CCCOC(c1cc(Nc2nc(-c3cnccc3)nc3ccccc23)ccc1)=O

InChI

InChI=1S/C23H20N4O2/c1-2-13-29-23(28)16-7-5-9-18(14-16)25-22-19-10-3-4-11-20(19)26-21(27-22)17-8-6-12-24-15-17/h3-12,14-15H,2,13H2,1H3,(H,25,26,27)

InChI Key

GROCSHUQOZDEOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052326

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.834

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-5.64

Polar Surface Area

58.371

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3993-3556 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

BRD4 Targeted Library (4534 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 3993-3556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-3556?
Check Price and Availability of 3993-3556, 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 3993-3556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-3556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-3556
  • 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 3993-3556 available by request