T841-2687 Screening compound: 4-benzyl-2-[(cyclohexylmethyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-2687 Screening compound: 4-benzyl-2-[(cyclohexylmethyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-2687 Screening compound: 4-benzyl-2-[(cyclohexylmethyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2687
4-benzyl-2-[(cyclohexylmethyl)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

T841-2687

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2ccccc2)c(cncc2)c2N=C1NCC1CCCCC1

InChI

InChI=1S/C21H24N4O/c26-21-20(23-13-16-7-3-1-4-8-16)24-18-11-12-22-14-19(18)25(21)15-17-9-5-2-6-10-17/h2,5-6,9-12,14,16H,1,3-4,7-8,13,15H2,(H,23,24)

InChI Key

WGDWLVVTCIFBTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

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

3.707

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-3.89

Polar Surface Area

44.966

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

T841-2687 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 T841-2687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2687?
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What is the minimum amount of T841-2687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2687
  • 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 T841-2687 available by request