T226-1330 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-ethyl-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide

T226-1330 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-ethyl-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide
T226-1330 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-ethyl-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T226-1330
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-ethyl-4-oxo-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

T226-1330

Molecular Formula

C21H18N4O4 (C21 H18 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-ethyl-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxaline-7-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-ethyl-4-oxo-4H5H-pyrazolo[15-a]quinoxaline-7-carboxamide

SMILES

CCN(c(cc(cc1)C(NCc(cc2)cc3c2OCO3)=O)c1-n1nccc11)C1=O

InChI

InChI=1S/C21H18N4O4/c1-2-24-17-10-14(4-5-15(17)25-16(21(24)27)7-8-23-25)20(26)22-11-13-3-6-18-19(9-13)29-12-28-18/h3-10H,2,11-12H2,1H3,(H,22,26)

InChI Key

JNFGFNOJJAJCJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.81

Polar Surface Area

69.364

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T226-1330 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with T226-1330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T226-1330?
Check Price and Availability of T226-1330, 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 T226-1330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T226-1330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T226-1330
  • 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 T226-1330 available by request