H027-0125 Screening compound: 2-[(dimethylamino)methyl]-1,4-dimethyl-7-(3-pyridyl)-1,4-dihydropyrrolo[4,3,2-de]isoquinoline-3,6-dione

H027-0125 Screening compound: 2-[(dimethylamino)methyl]-1,4-dimethyl-7-(3-pyridyl)-1,4-dihydropyrrolo[4,3,2-de]isoquinoline-3,6-dione
H027-0125 Screening compound: 2-[(dimethylamino)methyl]-1,4-dimethyl-7-(3-pyridyl)-1,4-dihydropyrrolo[4,3,2-de]isoquinoline-3,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-0125
2-[(dimethylamino)methyl]-1,4-dimethyl-7-(3-pyridyl)-1,4-dihydropyrrolo[4,3,2-de]isoquinoline-3,6-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

H027-0125

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

2-[(dimethylamino)methyl]-1,4-dimethyl-7-(3-pyridyl)-1,4-dihydropyrrolo[4,3,2-de]isoquinoline-3,6-dione

IUPAC name

n/a

SMILES

CN(C)Cc(n(C)c(C=C(c1cnccc1)C1=O)c2C1=CN1C)c2C1=O

InChI

InChI=1S/C20H20N4O2/c1-22(2)11-16-18-17-14(10-23(3)20(18)26)19(25)13(8-15(17)24(16)4)12-6-5-7-21-9-12/h5-10H,11H2,1-4H3

InChI Key

JUJRYGGRMSXCSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214737

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.236

Distribution Coefficient, logD

-0.577

Water Solubility, LogSw

-0.69

Polar Surface Area

44.662

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

H027-0125 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H027-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-0125?
Check Price and Availability of H027-0125, 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 H027-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-0125
  • 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 H027-0125 available by request