E881-0198 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2-fluorophenyl)piperazine

E881-0198 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2-fluorophenyl)piperazine
E881-0198 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0198
1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2-fluorophenyl)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

E881-0198

Molecular Formula

C27H23FN6O (C27 H23 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C27H23FN6O/c1-18-30-31-27-26(33-15-13-32(14-16-33)23-10-6-5-9-21(23)28)29-22-12-11-20(17-24(22)34(18)27)25(35)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3

InChI Key

MIBBXUKXJUISNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.48

Polar Surface Area

50.509

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E881-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0198?
Check Price and Availability of E881-0198, 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 E881-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0198
  • 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 E881-0198 available by request