T226-2004 Screening compound: 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide

T226-2004 Screening compound: 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide
T226-2004 Screening compound: 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T226-2004
5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)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

T226-2004

Molecular Formula

C25H21N5O3 (C25 H21 N5 O3)

Compound Name

5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide

IUPAC name

5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-4H5H-pyrazolo[15-a]quinoxaline-7-carboxamide

SMILES

COc1cccc(CN(c(cc(cc2)C(NCc3ccncc3)=O)c2-n2nccc22)C2=O)c1

InChI

InChI=1S/C25H21N5O3/c1-33-20-4-2-3-18(13-20)16-29-23-14-19(24(31)27-15-17-7-10-26-11-8-17)5-6-21(23)30-22(25(29)32)9-12-28-30/h2-14H,15-16H2,1H3,(H,27,31)

InChI Key

RNKQQIFPIRMJJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

2.252

Water Solubility, LogSw

-2.63

Polar Surface Area

69.224

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

T226-2004 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T226-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T226-2004?
Check Price and Availability of T226-2004, 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 T226-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T226-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T226-2004
  • 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 T226-2004 available by request