4491-0849 Screening compound: 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid

4491-0849 Screening compound: 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid
4491-0849 Screening compound: 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0849
6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid

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

4491-0849

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid

IUPAC name

6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid

SMILES

OC(CCCCCNc1nc(-c2ccccc2)nc2ccccc12)=O

InChI

InChI=1S/C20H21N3O2/c24-18(25)13-5-2-8-14-21-20-16-11-6-7-12-17(16)22-19(23-20)15-9-3-1-4-10-15/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,24,25)(H,21,22,23)

InChI Key

GLBNRUWVLJZISA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

1.626

Water Solubility, LogSw

-4.16

Polar Surface Area

57.624

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4491-0849 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 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:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4491-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0849?
Check Price and Availability of 4491-0849, 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 4491-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0849
  • 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 4491-0849 available by request