T226-1282 Screening compound: 5-ethyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide

T226-1282 Screening compound: 5-ethyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide
T226-1282 Screening compound: 5-ethyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T226-1282
5-ethyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide

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

T226-1282

Molecular Formula

C21H17F3N4O2 (C21 H17 F3 N4 O2)

Compound Name

5-ethyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide

IUPAC name

5-ethyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H5H-pyrazolo[15-a]quinoxaline-7-carboxamide

SMILES

CCN(c(cc(cc1)C(NCc2cccc(C(F)(F)F)c2)=O)c1-n1nccc11)C1=O

InChI

InChI=1S/C21H17F3N4O2/c1-2-27-18-11-14(6-7-16(18)28-17(20(27)30)8-9-26-28)19(29)25-12-13-4-3-5-15(10-13)21(22,23)24/h3-11H,2,12H2,1H3,(H,25,29)

InChI Key

JRLIHHGKYOCRAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.43

Polar Surface Area

52.249

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T226-1282 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T226-1282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T226-1282?
Check Price and Availability of T226-1282, 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 T226-1282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T226-1282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T226-1282
  • 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 T226-1282 available by request