P454-1140 Screening compound: 1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-d][1,2,4]triazine-1,6-dione

P454-1140 Screening compound: 1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-d][1,2,4]triazine-1,6-dione
P454-1140 Screening compound: 1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-d][1,2,4]triazine-1,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P454-1140
1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-d][1,2,4]triazine-1,6-dione

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

P454-1140

Molecular Formula

C6H7N3O2 (C6 H7 N3 O2)

Compound Name

1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-d][1,2,4]triazine-1,6-dione

IUPAC name

1H2H6H7H8H8aH-pyrrolo[12-d][124]triazine-16-dione

SMILES

O=C(CCC12)N1C=NNC2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

153.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.256

Distribution Coefficient, logD

-1.518

Water Solubility, LogSw

-0.51

Polar Surface Area

56.111

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P454-1140 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P454-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P454-1140?
Check Price and Availability of P454-1140, 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 P454-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P454-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P454-1140
  • 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 P454-1140 available by request