E881-0178 Screening compound: 2-(4-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)pyrimidine

E881-0178 Screening compound: 2-(4-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)pyrimidine
E881-0178 Screening compound: 2-(4-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0178
2-(4-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)pyrimidine

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

E881-0178

Molecular Formula

C25H22N8O (C25 H22 N8 O)

Compound Name

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

IUPAC name

2-(4-{8-benzoyl-1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}piperazin-1-yl)pyrimidine

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C25H22N8O/c1-17-29-30-24-23(31-12-14-32(15-13-31)25-26-10-5-11-27-25)28-20-9-8-19(16-21(20)33(17)24)22(34)18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3

InChI Key

BPOFFQBVISBMSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-3.90

Polar Surface Area

69.172

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E881-0178 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E881-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0178?
Check Price and Availability of E881-0178, 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 E881-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0178
  • 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 E881-0178 available by request