C301-4582 Screening compound: ethyl 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

C301-4582 Screening compound: ethyl 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate
C301-4582 Screening compound: ethyl 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4582
ethyl 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)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

C301-4582

Molecular Formula

C26H21N5O3 (C26 H21 N5 O3)

Compound Name

ethyl 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

IUPAC name

ethyl 4-({8-benzoyl-1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1Nc1nc(ccc(C(c2ccccc2)=O)c2)c2n2c1nnc2C)=O

InChI

InChI=1S/C26H21N5O3/c1-3-34-26(33)18-9-12-20(13-10-18)27-24-25-30-29-16(2)31(25)22-15-19(11-14-21(22)28-24)23(32)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,27,28)

InChI Key

XZDMQXDKDQSRLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.51

Polar Surface Area

74.470

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C301-4582 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-4582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4582?
Check Price and Availability of C301-4582, 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 C301-4582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4582
  • 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 C301-4582 available by request