T841-2736 Screening compound: 4-BENZYL-2-(3-METHOXYANILINO)PYRIDO[3,4-B]PYRAZIN-3(4H)-ONE

T841-2736 Screening compound: 4-BENZYL-2-(3-METHOXYANILINO)PYRIDO[3,4-B]PYRAZIN-3(4H)-ONE
T841-2736 Screening compound: 4-BENZYL-2-(3-METHOXYANILINO)PYRIDO[3,4-B]PYRAZIN-3(4H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2736
4-BENZYL-2-(3-METHOXYANILINO)PYRIDO[3,4-B]PYRAZIN-3(4H)-ONE

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

T841-2736

Molecular Formula

C21H18N4O2 (C21 H18 N4 O2)

Compound Name

4-BENZYL-2-(3-METHOXYANILINO)PYRIDO[3,4-B]PYRAZIN-3(4H)-ONE

IUPAC name

n/a

SMILES

COc1cccc(NC2=Nc(ccnc3)c3N(Cc3ccccc3)C2=O)c1

InChI

InChI=1S/C21H18N4O2/c1-27-17-9-5-8-16(12-17)23-20-21(26)25(14-15-6-3-2-4-7-15)19-13-22-11-10-18(19)24-20/h2-13H,14H2,1H3,(H,23,24)

InChI Key

UTAFKFKTZYAPJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.318

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.48

Polar Surface Area

50.996

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

T841-2736 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T841-2736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2736?
Check Price and Availability of T841-2736, 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 T841-2736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2736
  • 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 T841-2736 available by request