4705-0077 Screening compound: 4-(benzyloxy)-N-[3-(quinoxalin-2-yl)phenyl]benzamide

4705-0077 Screening compound: 4-(benzyloxy)-N-[3-(quinoxalin-2-yl)phenyl]benzamide
4705-0077 Screening compound: 4-(benzyloxy)-N-[3-(quinoxalin-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4705-0077
4-(benzyloxy)-N-[3-(quinoxalin-2-yl)phenyl]benzamide

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

4705-0077

Molecular Formula

C28H21N3O2 (C28 H21 N3 O2)

Compound Name

4-(benzyloxy)-N-[3-(quinoxalin-2-yl)phenyl]benzamide

IUPAC name

4-(benzyloxy)-N-[3-(quinoxalin-2-yl)phenyl]benzamide

SMILES

O=C(c(cc1)ccc1OCc1ccccc1)Nc1cc(-c2nc3ccccc3nc2)ccc1

InChI

InChI=1S/C28H21N3O2/c32-28(21-13-15-24(16-14-21)33-19-20-7-2-1-3-8-20)30-23-10-6-9-22(17-23)27-18-29-25-11-4-5-12-26(25)31-27/h1-18H,19H2,(H,30,32)

InChI Key

WCMJCOYMMYRCPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03168866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.349

Distribution Coefficient, logD

6.348

Water Solubility, LogSw

-6.05

Polar Surface Area

47.740

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

4705-0077 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4705-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4705-0077?
Check Price and Availability of 4705-0077, 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 4705-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4705-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4705-0077
  • 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 4705-0077 available by request