G966-0145 Screening compound: 1,3-BENZODIOXOL-5-YLMETHYL (2-ETHYL[1]BENZOFURO[3,2-D]PYRIMIDIN-4-YL) ETHER

G966-0145 Screening compound: 1,3-BENZODIOXOL-5-YLMETHYL (2-ETHYL[1]BENZOFURO[3,2-D]PYRIMIDIN-4-YL) ETHER
G966-0145 Screening compound: 1,3-BENZODIOXOL-5-YLMETHYL (2-ETHYL[1]BENZOFURO[3,2-D]PYRIMIDIN-4-YL) ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound G966-0145
1,3-BENZODIOXOL-5-YLMETHYL (2-ETHYL[1]BENZOFURO[3,2-D]PYRIMIDIN-4-YL) ETHER

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

G966-0145

Molecular Formula

C20H16N2O4 (C20 H16 N2 O4)

Compound Name

1,3-BENZODIOXOL-5-YLMETHYL (2-ETHYL[1]BENZOFURO[3,2-D]PYRIMIDIN-4-YL) ETHER

IUPAC name

n/a

SMILES

CCc1nc(OCc(cc2)cc3c2OCO3)c2oc(cccc3)c3c2n1

InChI

InChI=1S/C20H16N2O4/c1-2-17-21-18-13-5-3-4-6-14(13)26-19(18)20(22-17)23-10-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3

InChI Key

XKYYIVZQVJGKSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-5.03

Polar Surface Area

53.805

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G966-0145 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system

References: we are preparing a list of scientific research reports with G966-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G966-0145?
Check Price and Availability of G966-0145, 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 G966-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G966-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G966-0145
  • 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 G966-0145 available by request