T841-1605 Screening compound: N-(2,4-DIFLUOROPHENYL)-4-[4-(2-METHYLPROPYL)-3-OXO-3H,4H-PYRIDO[3,4-B]PYRAZIN-2-YL]PIPERAZINE-1-CARBOXAMIDE

T841-1605 Screening compound: N-(2,4-DIFLUOROPHENYL)-4-[4-(2-METHYLPROPYL)-3-OXO-3H,4H-PYRIDO[3,4-B]PYRAZIN-2-YL]PIPERAZINE-1-CARBOXAMIDE
T841-1605 Screening compound: N-(2,4-DIFLUOROPHENYL)-4-[4-(2-METHYLPROPYL)-3-OXO-3H,4H-PYRIDO[3,4-B]PYRAZIN-2-YL]PIPERAZINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-1605
N-(2,4-DIFLUOROPHENYL)-4-[4-(2-METHYLPROPYL)-3-OXO-3H,4H-PYRIDO[3,4-B]PYRAZIN-2-YL]PIPERAZINE-1-CARBOXAMIDE

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

T841-1605

Molecular Formula

C22H24F2N6O2 (C22 H24 F2 N6 O2)

Compound Name

N-(2,4-DIFLUOROPHENYL)-4-[4-(2-METHYLPROPYL)-3-OXO-3H,4H-PYRIDO[3,4-B]PYRAZIN-2-YL]PIPERAZINE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)CN(c(cncc1)c1N=C1N(CC2)CCN2C(Nc(ccc(F)c2)c2F)=O)C1=O

InChI

InChI=1S/C22H24F2N6O2/c1-14(2)13-30-19-12-25-6-5-18(19)26-20(21(30)31)28-7-9-29(10-8-28)22(32)27-17-4-3-15(23)11-16(17)24/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,27,32)

InChI Key

DFSFACUBLJWFSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.15

Polar Surface Area

60.589

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

T841-1605 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T841-1605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-1605?
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What is the minimum amount of T841-1605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-1605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-1605
  • 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 T841-1605 available by request