T841-1644 Screening compound: 2-[4-(2-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-4-(2-METHYLPROPYL)-3H,4H-PYRIDO[3,4-B]PYRAZIN-3-ONE

T841-1644 Screening compound: 2-[4-(2-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-4-(2-METHYLPROPYL)-3H,4H-PYRIDO[3,4-B]PYRAZIN-3-ONE
T841-1644 Screening compound: 2-[4-(2-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-4-(2-METHYLPROPYL)-3H,4H-PYRIDO[3,4-B]PYRAZIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-1644
2-[4-(2-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-4-(2-METHYLPROPYL)-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

T841-1644

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

2-[4-(2-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-4-(2-METHYLPROPYL)-3H,4H-PYRIDO[3,4-B]PYRAZIN-3-ONE

IUPAC name

2-[4-(2-methylbenzenesulfonyl)piperazin-1-yl]-4-(2-methylpropyl)-3H4H-pyrido[34-b]pyrazin-3-one

SMILES

CC(C)CN(c(cncc1)c1N=C1N(CC2)CCN2S(c2c(C)cccc2)(=O)=O)C1=O

InChI

InChI=1S/C22H27N5O3S/c1-16(2)15-27-19-14-23-9-8-18(19)24-21(22(27)28)25-10-12-26(13-11-25)31(29,30)20-7-5-4-6-17(20)3/h4-9,14,16H,10-13,15H2,1-3H3

InChI Key

RCGWHGZOJMTCTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-2.68

Polar Surface Area

67.528

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

T841-1644 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T841-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-1644?
Check Price and Availability of T841-1644, 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 T841-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-1644
  • 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 T841-1644 available by request