G966-0235 Screening compound: N,N-diethyl-N-{3-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]phenyl}amine

G966-0235 Screening compound: N,N-diethyl-N-{3-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]phenyl}amine
G966-0235 Screening compound: N,N-diethyl-N-{3-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]phenyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G966-0235
N,N-diethyl-N-{3-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]phenyl}amine

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

G966-0235

Molecular Formula

C26H23N3O2 (C26 H23 N3 O2)

Compound Name

N,N-diethyl-N-{3-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]phenyl}amine

IUPAC name

NN-diethyl-3-({4-phenyl-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}oxy)aniline

SMILES

CCN(CC)c1cccc(Oc2c3oc(cccc4)c4c3nc(-c3ccccc3)n2)c1

InChI

InChI=1S/C26H23N3O2/c1-3-29(4-2)19-13-10-14-20(17-19)30-26-24-23(21-15-8-9-16-22(21)31-24)27-25(28-26)18-11-6-5-7-12-18/h5-17H,3-4H2,1-2H3

InChI Key

VEXUNUHIHKEJOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.264

Distribution Coefficient, logD

7.264

Water Solubility, LogSw

-6.16

Polar Surface Area

37.684

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

G966-0235 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G966-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G966-0235?
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What is the minimum amount of G966-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G966-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G966-0235
  • 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 G966-0235 available by request