C785-1976 Screening compound: 5-ethyl-7-[2-(4-methylpiperidino)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-1976 Screening compound: 5-ethyl-7-[2-(4-methylpiperidino)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-1976 Screening compound: 5-ethyl-7-[2-(4-methylpiperidino)-2-oxoethyl]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 C785-1976
5-ethyl-7-[2-(4-methylpiperidino)-2-oxoethyl]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

C785-1976

Molecular Formula

C18H22N4O2S (C18 H22 N4 O2 S)

Compound Name

5-ethyl-7-[2-(4-methylpiperidino)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

12-ethyl-10-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(N1CCC(C)CC1)=O)C2=O

InChI

InChI=1S/C18H22N4O2S/c1-3-16-19-21(11-17(23)20-7-4-12(2)5-8-20)18(24)14-10-15-13(22(14)16)6-9-25-15/h6,9-10,12H,3-5,7-8,11H2,1-2H3

InChI Key

YZONZTVRZRPGNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-2.70

Polar Surface Area

47.878

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C785-1976 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C785-1976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1976?
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What is the minimum amount of C785-1976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1976
  • 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 C785-1976 available by request