0994-0068 Screening compound: 4-[(3-{4-[7-(4-aminophenoxy)-3-(4-iodophenyl)quinoxalin-2-yl]phenyl}-2-(4-iodophenyl)quinoxalin-6-yl)oxy]aniline

0994-0068 Screening compound: 4-[(3-{4-[7-(4-aminophenoxy)-3-(4-iodophenyl)quinoxalin-2-yl]phenyl}-2-(4-iodophenyl)quinoxalin-6-yl)oxy]aniline
0994-0068 Screening compound: 4-[(3-{4-[7-(4-aminophenoxy)-3-(4-iodophenyl)quinoxalin-2-yl]phenyl}-2-(4-iodophenyl)quinoxalin-6-yl)oxy]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0994-0068
4-[(3-{4-[7-(4-aminophenoxy)-3-(4-iodophenyl)quinoxalin-2-yl]phenyl}-2-(4-iodophenyl)quinoxalin-6-yl)oxy]aniline

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

0994-0068

Molecular Formula

C46H30I2N6O2 (C46 H30 I2 N6 O2)

Compound Name

4-[(3-{4-[7-(4-aminophenoxy)-3-(4-iodophenyl)quinoxalin-2-yl]phenyl}-2-(4-iodophenyl)quinoxalin-6-yl)oxy]aniline

IUPAC name

4-[(3-{4-[7-(4-aminophenoxy)-3-(4-iodophenyl)quinoxalin-2-yl]phenyl}-2-(4-iodophenyl)quinoxalin-6-yl)oxy]aniline

SMILES

Nc(cc1)ccc1Oc1ccc2nc(-c(cc3)ccc3I)c(-c(cc3)ccc3-c3nc4cc(Oc(cc5)ccc5N)ccc4nc3-c(cc3)ccc3I)nc2c1

InChI

InChI=1S/C46H30I2N6O2/c47-31-9-5-29(6-10-31)43-45(53-41-25-37(21-23-39(41)51-43)55-35-17-13-33(49)14-18-35)27-1-2-28(4-3-27)46-44(30-7-11-32(48)12-8-30)52-40-24-22-38(26-42(40)54-46)56-36-19-15-34(50)16-20-36/h1-26H,49-50H2

InChI Key

VGJFJIQXUQQPPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

952.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

11.111

Distribution Coefficient, logD

11.110

Water Solubility, LogSw

-6.40

Polar Surface Area

91.207

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0994-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0994-0068?
Check Price and Availability of 0994-0068, 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 0994-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0994-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0994-0068
  • 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 0994-0068 available by request