G966-0046 Screening compound: 4-[4-chloro-2-(1-phenylethyl)phenoxy]-2-methyl[1]benzofuro[3,2-d]pyrimidine

G966-0046 Screening compound: 4-[4-chloro-2-(1-phenylethyl)phenoxy]-2-methyl[1]benzofuro[3,2-d]pyrimidine
G966-0046 Screening compound: 4-[4-chloro-2-(1-phenylethyl)phenoxy]-2-methyl[1]benzofuro[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G966-0046
4-[4-chloro-2-(1-phenylethyl)phenoxy]-2-methyl[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

G966-0046

Molecular Formula

C25H19ClN2O2 (C25 H19 ClN2 O2)

Compound Name

4-[4-chloro-2-(1-phenylethyl)phenoxy]-2-methyl[1]benzofuro[3,2-d]pyrimidine

IUPAC name

6-[4-chloro-2-(1-phenylethyl)phenoxy]-4-methyl-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene

SMILES

CC(c1ccccc1)c(cc(cc1)Cl)c1Oc1nc(C)nc2c1oc1c2cccc1

InChI

InChI=1S/C25H19ClN2O2/c1-15(17-8-4-3-5-9-17)20-14-18(26)12-13-22(20)30-25-24-23(27-16(2)28-25)19-10-6-7-11-21(19)29-24/h3-15H,1-2H3/t15-/m0/s1

InChI Key

GFBXLEHZRUTLNF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15077412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.204

Distribution Coefficient, logD

7.204

Water Solubility, LogSw

-6.53

Polar Surface Area

34.648

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

G966-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G966-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G966-0046?
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What is the minimum amount of G966-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G966-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G966-0046
  • 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 G966-0046 available by request