C785-3284 Screening compound: 2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

C785-3284 Screening compound: 2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide
C785-3284 Screening compound: 2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-3284
2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)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

C785-3284

Molecular Formula

C21H20N4O2S (C21 H20 N4 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cc(n(C=NN(CC(NC(CCC2)c3c2cccc3)=O)C2=O)c2c2)c2s1

InChI

InChI=1S/C21H20N4O2S/c1-13-9-17-19(28-13)10-18-21(27)25(22-12-24(17)18)11-20(26)23-16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-10,12,16H,4,6,8,11H2,1H3,(H,23,26)/t16-/m0/s1

InChI Key

NFYSAYGDTSNDMX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14794802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.39

Polar Surface Area

55.017

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

C785-3284 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-3284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-3284?
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What is the minimum amount of C785-3284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-3284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-3284
  • 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 C785-3284 available by request