4559-0011 Screening compound: 3-hydroxy-2-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-one

4559-0011 Screening compound: 3-hydroxy-2-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-one
4559-0011 Screening compound: 3-hydroxy-2-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4559-0011
3-hydroxy-2-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-one

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

4559-0011

Molecular Formula

C17H16N2O3 (C17 H16 N2 O3)

Compound Name

3-hydroxy-2-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-hydroxy-2-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-1234-tetrahydroquinazolin-4-one

SMILES

C=CCc1cccc(C(Nc(cccc2)c2C2=O)N2O)c1O

InChI

InChI=1S/C17H16N2O3/c1-2-6-11-7-5-9-13(15(11)20)16-18-14-10-4-3-8-12(14)17(21)19(16)22/h2-5,7-10,16,18,20,22H,1,6H2/t16-/m0/s1

InChI Key

SBYIHYUUKHOSEH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01908567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-3.27

Polar Surface Area

60.256

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

4559-0011 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4559-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4559-0011?
Check Price and Availability of 4559-0011, 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 4559-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4559-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4559-0011
  • 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 4559-0011 available by request