8009-2664 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(pyrimidin-2-yl)acetamide

8009-2664 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(pyrimidin-2-yl)acetamide
8009-2664 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(pyrimidin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2664
2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(pyrimidin-2-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

8009-2664

Molecular Formula

C18H17N7OS (C18 H17 N7 OS)

Compound Name

2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(pyrimidin-2-yl)acetamide

IUPAC name

2-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(pyrimidin-2-yl)acetamide

SMILES

CCCn1c2nc(SCC(Nc3ncccn3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C18H17N7OS/c1-2-10-25-13-7-4-3-6-12(13)15-16(25)22-18(24-23-15)27-11-14(26)21-17-19-8-5-9-20-17/h3-9H,2,10-11H2,1H3,(H,19,20,21,26)

InChI Key

UHAOHBUKFTWMLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.212

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-2.70

Polar Surface Area

76.676

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8009-2664 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

References: we are preparing a list of scientific research reports with 8009-2664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2664?
Check Price and Availability of 8009-2664, 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 8009-2664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2664
  • 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 8009-2664 available by request