T841-1643 Screening compound: 2-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]-4-(2-methylpropyl)-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-1643 Screening compound: 2-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]-4-(2-methylpropyl)-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-1643 Screening compound: 2-[4-(3-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 T841-1643
2-[4-(3-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

T841-1643

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(c(cncc1)c1N=C1N(CC2)CCN2S(c2cc(C)ccc2)(=O)=O)C1=O

InChI

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

InChI Key

HXMHGQCULDFJFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028378

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

2.952

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.18

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

T841-1643 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 T841-1643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-1643?
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What is the minimum amount of T841-1643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-1643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-1643
  • 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 T841-1643 available by request