C785-1967 Screening compound: ethyl 4-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}tetrahydro-1(2H)-pyrazinecarboxylate

C785-1967 Screening compound: ethyl 4-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}tetrahydro-1(2H)-pyrazinecarboxylate
C785-1967 Screening compound: ethyl 4-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1967
ethyl 4-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}tetrahydro-1(2H)-pyrazinecarboxylate

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

C785-1967

Molecular Formula

C19H23N5O4S (C19 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(N(CC1)CCN1C(OCC)=O)=O)C2=O

InChI

InChI=1S/C19H23N5O4S/c1-3-16-20-23(18(26)14-11-15-13(24(14)16)5-10-29-15)12-17(25)21-6-8-22(9-7-21)19(27)28-4-2/h5,10-11H,3-4,6-9,12H2,1-2H3

InChI Key

YWWHEFZOWHSNOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.542

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.33

Polar Surface Area

70.659

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C785-1967 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C785-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1967?
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What is the minimum amount of C785-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1967
  • 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 C785-1967 available by request