T841-2686 Screening compound: 4-benzyl-2-[(2-methylpropyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-2686 Screening compound: 4-benzyl-2-[(2-methylpropyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-2686 Screening compound: 4-benzyl-2-[(2-methylpropyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2686
4-benzyl-2-[(2-methylpropyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-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

T841-2686

Molecular Formula

C18H20N4O (C18 H20 N4 O)

Compound Name

4-benzyl-2-[(2-methylpropyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one

IUPAC name

4-benzyl-2-[(2-methylpropyl)amino]-3H4H-pyrido[34-b]pyrazin-3-one

SMILES

CC(C)CNC1=Nc(ccnc2)c2N(Cc2ccccc2)C1=O

InChI

InChI=1S/C18H20N4O/c1-13(2)10-20-17-18(23)22(12-14-6-4-3-5-7-14)16-11-19-9-8-15(16)21-17/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)

InChI Key

QHQVVGIPVMXTKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-2.64

Polar Surface Area

45.046

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

T841-2686 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with T841-2686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2686?
Check Price and Availability of T841-2686, 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 T841-2686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2686
  • 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 T841-2686 available by request