T841-2447 Screening compound: 4-(propan-2-yl)-2-({[2-(trifluoromethyl)phenyl]methyl}amino)-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-2447 Screening compound: 4-(propan-2-yl)-2-({[2-(trifluoromethyl)phenyl]methyl}amino)-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-2447 Screening compound: 4-(propan-2-yl)-2-({[2-(trifluoromethyl)phenyl]methyl}amino)-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2447
4-(propan-2-yl)-2-({[2-(trifluoromethyl)phenyl]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

T841-2447

Molecular Formula

C18H17F3N4O (C18 H17 F3 N4 O)

Compound Name

4-(propan-2-yl)-2-({[2-(trifluoromethyl)phenyl]methyl}amino)-3H,4H-pyrido[3,4-b]pyrazin-3-one

IUPAC name

4-(propan-2-yl)-2-({[2-(trifluoromethyl)phenyl]methyl}amino)-3H4H-pyrido[34-b]pyrazin-3-one

SMILES

CC(C)N(c(cncc1)c1N=C1NCc2c(C(F)(F)F)cccc2)C1=O

InChI

InChI=1S/C18H17F3N4O/c1-11(2)25-15-10-22-8-7-14(15)24-16(17(25)26)23-9-12-5-3-4-6-13(12)18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)

InChI Key

SINGXADOSRVFGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.35

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

2.863

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.25

Polar Surface Area

44.766

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

T841-2447 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T841-2447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2447?
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What is the minimum amount of T841-2447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2447
  • 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 T841-2447 available by request