C785-2599 Screening compound: 5-methyl-7-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-2599 Screening compound: 5-methyl-7-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-2599 Screening compound: 5-methyl-7-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-2599
5-methyl-7-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-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

C785-2599

Molecular Formula

C22H24N6O2S (C22 H24 N6 O2 S)

Compound Name

5-methyl-7-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

12-methyl-10-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CC(n1c2cc3c1ccs3)=NN(CCCC(N(CC1)CCN1c1ncccc1)=O)C2=O

InChI

InChI=1S/C22H24N6O2S/c1-16-24-27(22(30)18-15-19-17(28(16)18)7-14-31-19)9-4-6-21(29)26-12-10-25(11-13-26)20-5-2-3-8-23-20/h2-3,5,7-8,14-15H,4,6,9-13H2,1H3

InChI Key

DHZBISBICAKVGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.43

Polar Surface Area

58.537

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C785-2599 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-2599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-2599?
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What is the minimum amount of C785-2599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-2599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-2599
  • 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 C785-2599 available by request