C785-1966 Screening compound: ethyl 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxylate

C785-1966 Screening compound: ethyl 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxylate
C785-1966 Screening compound: ethyl 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1966
ethyl 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxylate

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

C785-1966

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

ethyl 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-(2-{12-ethyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetyl)piperidine-4-carboxylate

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(N(CC1)CCC1C(OCC)=O)=O)C2=O

InChI

InChI=1S/C20H24N4O4S/c1-3-17-21-23(19(26)15-11-16-14(24(15)17)7-10-29-16)12-18(25)22-8-5-13(6-9-22)20(27)28-4-2/h7,10-11,13H,3-6,8-9,12H2,1-2H3

InChI Key

QIQGYFTVBDHMPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.59

Polar Surface Area

68.632

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C785-1966 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1966?
Check Price and Availability of C785-1966, 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 C785-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1966
  • 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 C785-1966 available by request