G966-0029 Screening compound: 4-(2,2,2-trifluoroethoxy)[1]benzofuro[3,2-d]pyrimidine

G966-0029 Screening compound: 4-(2,2,2-trifluoroethoxy)[1]benzofuro[3,2-d]pyrimidine
G966-0029 Screening compound: 4-(2,2,2-trifluoroethoxy)[1]benzofuro[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G966-0029
4-(2,2,2-trifluoroethoxy)[1]benzofuro[3,2-d]pyrimidine

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

G966-0029

Molecular Formula

C12H7F3N2O2 (C12 H7 F3 N2 O2)

Compound Name

4-(2,2,2-trifluoroethoxy)[1]benzofuro[3,2-d]pyrimidine

IUPAC name

6-(222-trifluoroethoxy)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene

SMILES

FC(COc1ncnc2c1oc1c2cccc1)(F)F

InChI

InChI=1S/C12H7F3N2O2/c13-12(14,15)5-18-11-10-9(16-6-17-11)7-3-1-2-4-8(7)19-10/h1-4,6H,5H2

InChI Key

AKWMSXJGDRBRGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.441

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.48

Polar Surface Area

37.210

Acid Dissociation Constant (pKa)

25.89

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G966-0029 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G966-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G966-0029?
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What is the minimum amount of G966-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G966-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G966-0029
  • 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 G966-0029 available by request