T226-2115 Screening compound: methyl 3-({5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxalin-7-yl}formamido)propanoate

T226-2115 Screening compound: methyl 3-({5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxalin-7-yl}formamido)propanoate
T226-2115 Screening compound: methyl 3-({5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxalin-7-yl}formamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T226-2115
methyl 3-({5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxalin-7-yl}formamido)propanoate

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

T226-2115

Molecular Formula

C22H19FN4O4 (C22 H19 FN4 O4)

Compound Name

methyl 3-({5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H-pyrazolo[1,5-a]quinoxalin-7-yl}formamido)propanoate

IUPAC name

methyl 3-({5-[(4-fluorophenyl)methyl]-4-oxo-4H5H-pyrazolo[15-a]quinoxalin-7-yl}formamido)propanoate

SMILES

COC(CCNC(c(cc1)cc(N2Cc(cc3)ccc3F)c1-n1nccc1C2=O)=O)=O

InChI

InChI=1S/C22H19FN4O4/c1-31-20(28)9-10-24-21(29)15-4-7-17-19(12-15)26(13-14-2-5-16(23)6-3-14)22(30)18-8-11-25-27(17)18/h2-8,11-12H,9-10,13H2,1H3,(H,24,29)

InChI Key

XFYPEBBVFHIGEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-2.37

Polar Surface Area

72.944

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

T226-2115 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 T226-2115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T226-2115?
Check Price and Availability of T226-2115, 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 T226-2115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T226-2115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T226-2115
  • 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 T226-2115 available by request