C785-1915 Screening compound: N~1~-[3-(4-benzylpiperazino)propyl]-2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C785-1915 Screening compound: N~1~-[3-(4-benzylpiperazino)propyl]-2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C785-1915 Screening compound: N~1~-[3-(4-benzylpiperazino)propyl]-2-[5-ethyl-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 C785-1915
N~1~-[3-(4-benzylpiperazino)propyl]-2-[5-ethyl-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

C785-1915

Molecular Formula

C26H32N6O2S (C26 H32 N6 O2 S)

Compound Name

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

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{12-ethyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetamide

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(NCCCN1CCN(Cc3ccccc3)CC1)=O)C2=O

InChI

InChI=1S/C26H32N6O2S/c1-2-24-28-31(26(34)22-17-23-21(32(22)24)9-16-35-23)19-25(33)27-10-6-11-29-12-14-30(15-13-29)18-20-7-4-3-5-8-20/h3-5,7-9,16-17H,2,6,10-15,18-19H2,1H3,(H,27,33)

InChI Key

QUQNTOAMMVIRNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.65

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

2.080

Distribution Coefficient, logD

1.261

Water Solubility, LogSw

-2.78

Polar Surface Area

63.322

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C785-1915 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1915?
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What is the minimum amount of C785-1915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1915
  • 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 C785-1915 available by request