T841-2549 Screening compound: 2-[(3-chlorophenyl)amino]-4-(propan-2-yl)-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-2549 Screening compound: 2-[(3-chlorophenyl)amino]-4-(propan-2-yl)-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-2549 Screening compound: 2-[(3-chlorophenyl)amino]-4-(propan-2-yl)-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2549
2-[(3-chlorophenyl)amino]-4-(propan-2-yl)-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

T841-2549

Molecular Formula

C16H15ClN4O (C16 H15 ClN4 O)

Compound Name

2-[(3-chlorophenyl)amino]-4-(propan-2-yl)-3H,4H-pyrido[3,4-b]pyrazin-3-one

IUPAC name

2-[(3-chlorophenyl)amino]-4-(propan-2-yl)-3H4H-pyrido[34-b]pyrazin-3-one

SMILES

CC(C)N(c(cncc1)c1N=C1Nc2cccc(Cl)c2)C1=O

InChI

InChI=1S/C16H15ClN4O/c1-10(2)21-14-9-18-7-6-13(14)20-15(16(21)22)19-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,19,20)

InChI Key

VVJOCEFVLDTTGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-3.50

Polar Surface Area

43.444

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

T841-2549 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T841-2549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2549?
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What is the minimum amount of T841-2549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2549
  • 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 T841-2549 available by request