T841-2613 Screening compound: 4-benzyl-2-[(2-phenylethyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-2613 Screening compound: 4-benzyl-2-[(2-phenylethyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-2613 Screening compound: 4-benzyl-2-[(2-phenylethyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2613
4-benzyl-2-[(2-phenylethyl)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

T841-2613

Molecular Formula

C22H20N4O (C22 H20 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2ccccc2)c(cncc2)c2N=C1NCCc1ccccc1

InChI

InChI=1S/C22H20N4O/c27-22-21(24-14-11-17-7-3-1-4-8-17)25-19-12-13-23-15-20(19)26(22)16-18-9-5-2-6-10-18/h1-10,12-13,15H,11,14,16H2,(H,24,25)

InChI Key

RNUSJXHTQYKOQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-2.99

Polar Surface Area

44.616

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

T841-2613 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with T841-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2613?
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What is the minimum amount of T841-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2613
  • 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 T841-2613 available by request