C785-1979 Screening compound: 7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-1979 Screening compound: 7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-1979 Screening compound: 7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1979
7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-5-ethylthieno[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

C785-1979

Molecular Formula

C22H22ClN5O2S (C22 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

10-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-12-ethyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(N(CC1)CCN1c1cccc(Cl)c1)=O)C2=O

InChI

InChI=1S/C22H22ClN5O2S/c1-2-20-24-27(22(30)18-13-19-17(28(18)20)6-11-31-19)14-21(29)26-9-7-25(8-10-26)16-5-3-4-15(23)12-16/h3-6,11-13H,2,7-10,14H2,1H3

InChI Key

BBYSYCHWHAQCTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.97

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

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.34

Polar Surface Area

51.139

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C785-1979 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1979?
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What is the minimum amount of C785-1979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1979
  • 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 C785-1979 available by request