E881-0158 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(3-methoxyphenyl)piperazine

E881-0158 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(3-methoxyphenyl)piperazine
E881-0158 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(3-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0158
1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(3-methoxyphenyl)piperazine

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

E881-0158

Molecular Formula

C28H26N6O2 (C28 H26 N6 O2)

Compound Name

1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(3-methoxyphenyl)piperazine

IUPAC name

1-{8-benzoyl-1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}-4-(3-methoxyphenyl)piperazine

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2N(CC1)CCN1c1cc(OC)ccc1

InChI

InChI=1S/C28H26N6O2/c1-19-30-31-28-27(33-15-13-32(14-16-33)22-9-6-10-23(18-22)36-2)29-24-12-11-21(17-25(24)34(19)28)26(35)20-7-4-3-5-8-20/h3-12,17-18H,13-16H2,1-2H3

InChI Key

KJCQHUXWAJRIJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.53

Polar Surface Area

58.354

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E881-0158 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 E881-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0158?
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What is the minimum amount of E881-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0158
  • 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 E881-0158 available by request