C785-1855 Screening compound: 2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3-methoxypropyl)acetamide

C785-1855 Screening compound: 2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3-methoxypropyl)acetamide
C785-1855 Screening compound: 2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1855
2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3-methoxypropyl)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

C785-1855

Molecular Formula

C16H20N4O3S (C16 H20 N4 O3 S)

Compound Name

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

IUPAC name

2-{12-ethyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-(3-methoxypropyl)acetamide

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(NCCCOC)=O)C2=O

InChI

InChI=1S/C16H20N4O3S/c1-3-14-18-19(10-15(21)17-6-4-7-23-2)16(22)12-9-13-11(20(12)14)5-8-24-13/h5,8-9H,3-4,6-7,10H2,1-2H3,(H,17,21)

InChI Key

NLGZUFULOJKALB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.166

Distribution Coefficient, logD

1.166

Water Solubility, LogSw

-2.38

Polar Surface Area

64.413

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

C785-1855 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 C785-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1855?
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What is the minimum amount of C785-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1855
  • 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 C785-1855 available by request