C785-3119 Screening compound: N~1~-(3,4-dimethoxybenzyl)-2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C785-3119 Screening compound: N~1~-(3,4-dimethoxybenzyl)-2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C785-3119 Screening compound: N~1~-(3,4-dimethoxybenzyl)-2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-3119
N~1~-(3,4-dimethoxybenzyl)-2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]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

C785-3119

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

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

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-2-{12-ethyl-4-methyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetamide

SMILES

CCC(n1c2cc3c1cc(C)s3)=NN(CC(NCc(cc1)cc(OC)c1OC)=O)C2=O

InChI

InChI=1S/C22H24N4O4S/c1-5-20-24-25(22(28)16-10-19-15(26(16)20)8-13(2)31-19)12-21(27)23-11-14-6-7-17(29-3)18(9-14)30-4/h6-10H,5,11-12H2,1-4H3,(H,23,27)

InChI Key

CUGLWRBYKGKYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.23

Polar Surface Area

71.218

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C785-3119 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-3119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-3119?
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What is the minimum amount of C785-3119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-3119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-3119
  • 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 C785-3119 available by request