E881-0194 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-benzylpiperazine

E881-0194 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-benzylpiperazine
E881-0194 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-benzylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0194
1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-benzylpiperazine

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

E881-0194

Molecular Formula

C28H26N6O (C28 H26 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C28H26N6O/c1-20-30-31-28-27(33-16-14-32(15-17-33)19-21-8-4-2-5-9-21)29-24-13-12-23(18-25(24)34(20)28)26(35)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3

InChI Key

AVGYUAWSVVKZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.22

Polar Surface Area

51.090

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E881-0194 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E881-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0194?
Check Price and Availability of E881-0194, 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 E881-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0194
  • 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 E881-0194 available by request