E881-0193 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}azepane

E881-0193 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}azepane
E881-0193 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0193
1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}azepane

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

E881-0193

Molecular Formula

C23H23N5O (C23 H23 N5 O)

Compound Name

1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}azepane

IUPAC name

1-{8-benzoyl-1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}azepane

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2N1CCCCCC1

InChI

InChI=1S/C23H23N5O/c1-16-25-26-23-22(27-13-7-2-3-8-14-27)24-19-12-11-18(15-20(19)28(16)23)21(29)17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3

InChI Key

XNHLXDYCLQZOFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.30

Polar Surface Area

47.881

Acid Dissociation Constant (pKa)

24.19

Base Dissociation Constant (pKb)

11.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E881-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0193?
Check Price and Availability of E881-0193, 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 E881-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0193
  • 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 E881-0193 available by request