T841-0533 Screening compound: 2-{4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl}-4-ethyl-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-0533 Screening compound: 2-{4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl}-4-ethyl-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-0533 Screening compound: 2-{4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl}-4-ethyl-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-0533
2-{4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl}-4-ethyl-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

T841-0533

Molecular Formula

C22H24ClN5O3 (C22 H24 ClN5 O3)

Compound Name

2-{4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl}-4-ethyl-3H,4H-pyrido[3,4-b]pyrazin-3-one

IUPAC name

2-{4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl}-4-ethyl-3H4H-pyrido[34-b]pyrazin-3-one

SMILES

CCN(c(cncc1)c1N=C1N(CC2)CCN2C(COc(cc2)c(C)cc2Cl)=O)C1=O

InChI

InChI=1S/C22H24ClN5O3/c1-3-28-18-13-24-7-6-17(18)25-21(22(28)30)27-10-8-26(9-11-27)20(29)14-31-19-5-4-16(23)12-15(19)2/h4-7,12-13H,3,8-11,14H2,1-2H3

InChI Key

JXADRZXNEUSNOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-2.95

Polar Surface Area

59.249

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

T841-0533 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T841-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-0533?
Check Price and Availability of T841-0533, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T841-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-0533
  • 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 T841-0533 available by request