C785-1114 Screening compound: 5-methyl-7-{1-[(4-phenylpiperazino)carbonyl]propyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-1114 Screening compound: 5-methyl-7-{1-[(4-phenylpiperazino)carbonyl]propyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-1114 Screening compound: 5-methyl-7-{1-[(4-phenylpiperazino)carbonyl]propyl}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 C785-1114
5-methyl-7-{1-[(4-phenylpiperazino)carbonyl]propyl}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

C785-1114

Molecular Formula

C23H25N5O2S (C23 H25 N5 O2 S)

Compound Name

5-methyl-7-{1-[(4-phenylpiperazino)carbonyl]propyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

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

SMILES

CCC(C(N(CC1)CCN1c1ccccc1)=O)N(C1=O)N=C(C)n2c1cc1c2ccs1

InChI

InChI=1S/C23H25N5O2S/c1-3-18(22(29)26-12-10-25(11-13-26)17-7-5-4-6-8-17)28-23(30)20-15-21-19(9-14-31-21)27(20)16(2)24-28/h4-9,14-15,18H,3,10-13H2,1-2H3/t18-/m0/s1

InChI Key

MPBALNMNYKHZOK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14794412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.83

Polar Surface Area

48.692

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C785-1114 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with C785-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1114?
Check Price and Availability of C785-1114, 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 C785-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1114
  • 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 C785-1114 available by request