C784-2876 Screening compound: 7-{4-[4-(3-chlorophenyl)piperazino]-4-oxobutyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C784-2876 Screening compound: 7-{4-[4-(3-chlorophenyl)piperazino]-4-oxobutyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C784-2876 Screening compound: 7-{4-[4-(3-chlorophenyl)piperazino]-4-oxobutyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C784-2876
7-{4-[4-(3-chlorophenyl)piperazino]-4-oxobutyl}-2,5-dimethylfuro[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

C784-2876

Molecular Formula

C24H26ClN5O3 (C24 H26 ClN5 O3)

Compound Name

7-{4-[4-(3-chlorophenyl)piperazino]-4-oxobutyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

n/a

SMILES

Cc1cc(n(c2c3)C(C)=NN(CCCC(N(CC4)CCN4c4cccc(Cl)c4)=O)C2=O)c3o1

InChI

InChI=1S/C24H26ClN5O3/c1-16-13-20-22(33-16)15-21-24(32)29(26-17(2)30(20)21)8-4-7-23(31)28-11-9-27(10-12-28)19-6-3-5-18(25)14-19/h3,5-6,13-15H,4,7-12H2,1-2H3

InChI Key

QYSSXOOJYKTSOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.96

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

3.016

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-3.34

Polar Surface Area

56.993

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C784-2876 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C784-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C784-2876?
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What is the minimum amount of C784-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C784-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C784-2876
  • 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 C784-2876 available by request