8005-2270 Screening compound: 5-(1H-indol-3-yl)-5-phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one

8005-2270 Screening compound: 5-(1H-indol-3-yl)-5-phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one
8005-2270 Screening compound: 5-(1H-indol-3-yl)-5-phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2270
5-(1H-indol-3-yl)-5-phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one

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

8005-2270

Molecular Formula

C17H14N4O (C17 H14 N4 O)

Compound Name

5-(1H-indol-3-yl)-5-phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one

IUPAC name

5-(1H-indol-3-yl)-5-phenyl-2345-tetrahydro-124-triazin-3-one

SMILES

O=C1NN=CC(c2c[nH]c3c2cccc3)(c2ccccc2)N1

InChI

InChI=1S/C17H14N4O/c22-16-20-17(11-19-21-16,12-6-2-1-3-7-12)14-10-18-15-9-5-4-8-13(14)15/h1-11,18H,(H2,20,21,22)/t17-/m1/s1

InChI Key

UPNPPSIFYIFWBY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00493706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.21

Polar Surface Area

59.168

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.88

8005-2270 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 8005-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2270?
Check Price and Availability of 8005-2270, 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 8005-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2270
  • 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 8005-2270 available by request