C785-3976 Screening compound: 2-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2,4-dimethoxyphenethyl)acetamide

C785-3976 Screening compound: 2-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2,4-dimethoxyphenethyl)acetamide
C785-3976 Screening compound: 2-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2,4-dimethoxyphenethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-3976
2-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2,4-dimethoxyphenethyl)acetamide

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

C785-3976

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

2-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2,4-dimethoxyphenethyl)acetamide

IUPAC name

2-{412-diethyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-[2-(24-dimethoxyphenyl)ethyl]acetamide

SMILES

CCc1cc(n(c2c3)C(CC)=NN(CC(NCCc(ccc(OC)c4)c4OC)=O)C2=O)c3s1

InChI

InChI=1S/C24H28N4O4S/c1-5-17-12-18-21(33-17)13-19-24(30)27(26-22(6-2)28(18)19)14-23(29)25-10-9-15-7-8-16(31-3)11-20(15)32-4/h7-8,11-13H,5-6,9-10,14H2,1-4H3,(H,25,29)

InChI Key

QKNKVEBJYPTRCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.602

Water Solubility, LogSw

-3.78

Polar Surface Area

70.973

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C785-3976 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 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
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-3976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-3976?
Check Price and Availability of C785-3976, 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 C785-3976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-3976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-3976
  • 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 C785-3976 available by request