0466-0365 Screening compound: 4-(quinoxalin-2-yl)phenyl benzoate

0466-0365 Screening compound: 4-(quinoxalin-2-yl)phenyl benzoate
0466-0365 Screening compound: 4-(quinoxalin-2-yl)phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0365
4-(quinoxalin-2-yl)phenyl benzoate

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

0466-0365

Molecular Formula

C21H14N2O2 (C21 H14 N2 O2)

Compound Name

4-(quinoxalin-2-yl)phenyl benzoate

IUPAC name

4-(quinoxalin-2-yl)phenyl benzoate

SMILES

O=C(c1ccccc1)Oc(cc1)ccc1-c1nc2ccccc2nc1

InChI

InChI=1S/C21H14N2O2/c24-21(16-6-2-1-3-7-16)25-17-12-10-15(11-13-17)20-14-22-18-8-4-5-9-19(18)23-20/h1-14H

InChI Key

QYRXJSMRLPXPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00382010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.96

Polar Surface Area

37.799

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0466-0365 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0466-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0365?
Check Price and Availability of 0466-0365, 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 0466-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0365
  • 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 0466-0365 available by request