T841-2624 Screening compound: 4-benzyl-2-{[(pyridin-2-yl)methyl]amino}-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-2624 Screening compound: 4-benzyl-2-{[(pyridin-2-yl)methyl]amino}-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-2624 Screening compound: 4-benzyl-2-{[(pyridin-2-yl)methyl]amino}-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2624
4-benzyl-2-{[(pyridin-2-yl)methyl]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

T841-2624

Molecular Formula

C20H17N5O (C20 H17 N5 O)

Compound Name

4-benzyl-2-{[(pyridin-2-yl)methyl]amino}-3H,4H-pyrido[3,4-b]pyrazin-3-one

IUPAC name

4-benzyl-2-{[(pyridin-2-yl)methyl]amino}-3H4H-pyrido[34-b]pyrazin-3-one

SMILES

O=C1N(Cc2ccccc2)c(cncc2)c2N=C1NCc1ncccc1

InChI

InChI=1S/C20H17N5O/c26-20-19(23-12-16-8-4-5-10-22-16)24-17-9-11-21-13-18(17)25(20)14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,24)

InChI Key

FXCRGSUEQXSUEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

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

1.842

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-1.70

Polar Surface Area

54.317

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

T841-2624 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T841-2624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2624?
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What is the minimum amount of T841-2624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2624
  • 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 T841-2624 available by request